Supplementary Information Cytotoxic Rocaglate Derivatives from the Leaves of




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Table 2. Optimized Z-Matrixes of compound 8 in the Gas Phase (Å) at B3LYP/6-311G (d, p) level.


C1:

Center
Number

Atomic
Number

Atomic
type

Coordinates (Angstroms)

x

y

z

1

6

0

4.197253

-2.093807

0.615472

2

6

0

3.495509

-2.563468

1.729180

3

6

0

2.106987

-2.487314

1.740746

4

6

0

1.431345

-1.966654

0.636499

5

6

0

2.118790

-1.525337

-0.500519

6

6

0

3.522123

-1.558555

-0.487742

7

8

0

0.069175

-1.895114

0.750050

8

6

0

-0.678296

-1.348476

-0.376546

9

6

0

-0.487580

0.207599

-0.388782

10

6

0

0.742831

0.456879

-1.318743

11

6

0

1.276999

-0.969430

-1.637614

12

6

0

-1.686986

0.912197

-1.005677

13

6

0

-1.623594

4.569835

1.147762

14

6

0

-2.924883

4.848275

0.430354

15

6

0

-3.874685

3.648951

0.398098

16

6

0

-3.457959

2.568538

-0.599079

17

7

0

-2.270959

1.853207

-0.192163

18

6

0

-2.115366

-1.786100

-0.101514

19

6

0

-2.732412

-1.427615

1.111940

20

6

0

-4.052844

-1.793192

1.386977

21

6

0

-4.791872

-2.531486

0.464568

22

6

0

-4.192499

-2.905652

-0.735852

23

6

0

-2.867862

-2.539028

-1.013503

24

6

0

2.146198

1.609034

0.510297

25

6

0

1.787118

1.455984

-0.836941

26

6

0

2.464370

2.232858

-1.793212

27

6

0

3.458387

3.137512

-1.415036

28

6

0

3.800817

3.274711

-0.073570

29

6

0

3.147635

2.508284

0.887430

30

8

0

1.899987

-1.031207

-2.920081

31

8

0

-2.085779

0.670209

-2.141466

32

6

0

-0.040367

-1.770366

-1.717338

33

8

0

0.180382

-3.173952

-1.890093

34

8

0

-1.355576

3.539194

1.753319

35

8

0

-0.798499

5.645992

1.021723

36

6

0

0.480783

5.475028

1.632075

37

8

0

4.164061

-1.068948

-1.597462

38

6

0

5.451425

-0.502074

-1.361877

39

8

0

4.282070

-3.055574

2.734948

40

6

0

3.610251

-3.641763

3.843856

41

8

0

-6.070560

-2.821317

0.853419

42

6

0

-6.856865

-3.582975

-0.054055

43

1

0

5.280150

-2.169467

0.629036

44

1

0

1.518377

-2.823148

2.587517

45

1

0

-0.331426

0.573328

0.630378

46

1

0

0.375992

0.875170

-2.268775

47

1

0

-3.416377

5.670211

0.963707

48

1

0

-2.703812

5.177651

-0.590956

49

1

0

-3.977894

3.215930

1.400585

50

1

0

-4.866614

4.012705

0.103055

51

1

0

-4.261167

1.828826

-0.695924

52

1

0

-3.286971

2.997174

-1.593250

53

1

0

-1.876480

2.039525

0.741007

54

1

0

-2.182855

-0.861436

1.861296

55

1

0

-4.506130

-1.502616

2.331106

56

1

0

-4.722039

-3.485119

-1.484521

57

1

0

-2.442014

-2.859006

-1.961793

58

1

0

1.678982

1.016195

1.292462

59

1

0

2.224113

2.131545

-2.850901

60

1

0

3.967700

3.729390

-2.171074

61

1

0

4.578741

3.973213

0.222080

62

1

0

3.419471

2.603569

1.935777

63

1

0

2.860563

-0.936839

-2.765216

64

1

0

-0.633120

-1.445969

-2.581686

65

1

0

0.853494

-3.244799

-2.593577

66

1

0

1.056753

6.391286

1.476154

67

1

0

0.374596

5.310504

2.708820

68

1

0

1.015734

4.645522

1.162930

69

1

0

6.205139

-1.288534

-1.257292

70

1

0

5.714931

0.097487

-2.238508

71

1

0

5.450616

0.162669

-0.491070

72

1

0

4.371067

-4.030938

4.527371

73

1

0

3.024941

-2.893725

4.388609

74

1

0

2.983733

-4.482992

3.528855

75

1

0

-7.841536

-3.730830

0.399855

76

1

0

-7.002964

-3.046031

-0.997190

77

1

0

-6.417576

-4.571535

-0.224493

C2:

Center
Number

Atomic
Number

Atomic
type

Coordinates (Angstroms)

x

y

z

1

6

0

4.313408

-1.813486

0.710939

2

6

0

3.595376

-2.367448

1.774333

3

6

0

2.206258

-2.395026

1.716826

4

6

0

1.548053

-1.893288

0.593464

5

6

0

2.255297

-1.368876

-0.495189

6

6

0

3.654771

-1.297655

-0.411314

7

8

0

0.180255

-1.925683

0.639177

8

6

0

-0.550186

-1.404173

-0.510812

9

6

0

-0.477490

0.161135

-0.473269

10

6

0

0.775002

0.528202

-1.332177

11

6

0

1.430806

-0.844280

-1.659591
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