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Information card for entry 2211764
Preview
Coordinates | 2211764.cif |
---|---|
Structure factors | 2211764.hkl |
Original IUCr paper | HTML |
Chemical name | 4'-(4-Methoxyphenyl)-1'-methyl-5-diphenyl-5,6,7,8,9,10-hexahydro-1,3- cyclooctapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indole-2'',3(2H,3''H)-dione |
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Formula | C36 H36 N4 O3 S |
Calculated formula | C36 H36 N4 O3 S |
SMILES | [C@]12([C@]3([C@@H](CN2C)c2ccc(cc2)OC)C(=O)N2[C@@H](c4ccccc4)C4=C(CCCCCC4)N=C2S3)C(=O)Nc2ccccc12.[C@@]12([C@@]3([C@H](CN2C)c2ccc(cc2)OC)C(=O)N2[C@H](c4ccccc4)C4=C(CCCCCC4)N=C2S3)C(=O)Nc2ccccc12 |
Title of publication | 4'-(4-Methoxyphenyl)-1'-methyl-5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cyclooctapyrimidino[2,3-<i>b</i>]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indole-2'',3(2<i>H</i>,3''<i>H</i>)-dione |
Authors of publication | R. Prakash; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | o129 - o131 |
a | 11.4459 ± 0.0019 Å |
b | 12.085 ± 0.002 Å |
c | 13.612 ± 0.002 Å |
α | 69.568 ± 0.003° |
β | 65.586 ± 0.003° |
γ | 71.038 ± 0.003° |
Cell volume | 1570.2 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1198 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2211764.html
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