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Information card for entry 2233097
Preview
Coordinates | 2233097.cif |
---|---|
Structure factors | 2233097.hkl |
Original IUCr paper | HTML |
Chemical name | 1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4<i>H</i>),3'- pyrrolidine-2',3''-indoline]-2,2''-dione |
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Formula | C27 H24 N2 O3 |
Calculated formula | C27 H24 N2 O3 |
SMILES | [C@@]12([C@]3([C@H](CN2C)c2ccc(cc2)C)Cc2ccccc2OC3=O)C(=O)Nc2ccccc12.[C@]12([C@@]3([C@@H](CN2C)c2ccc(cc2)C)Cc2ccccc2OC3=O)C(=O)Nc2ccccc12 |
Title of publication | 1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4<i>H</i>),3'-pyrrolidine-2',3''-indoline]-2,2''-dione |
Authors of publication | Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 1 |
Pages of publication | o11 |
a | 10.4543 ± 0.0003 Å |
b | 14.6018 ± 0.0004 Å |
c | 14.7266 ± 0.0004 Å |
α | 90° |
β | 104.043 ± 0.002° |
γ | 90° |
Cell volume | 2180.85 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0858 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1288 |
Weighted residual factors for all reflections included in the refinement | 0.1529 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233097.html
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Users of the data should acknowledge the original authors of the
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