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Information card for entry 1546643
Preview
Coordinates | 1546643.cif |
---|---|
Structure factors | 1546643.hkl |
Original IUCr paper | HTML |
Chemical name | 5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione |
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Formula | C32 H30 N2 O4 |
Calculated formula | C32 H30 N2 O4 |
SMILES | O=C1/C(=C/c2ccccc2)CC2(OCCO2)C[C@]21[C@@H](CN(C)[C@@]12C(=O)Nc2ccccc12)c1ccccc1.O=C1/C(=C/c2ccccc2)CC2(OCCO2)C[C@@]21[C@H](CN(C)[C@]12C(=O)Nc2ccccc12)c1ccccc1 |
Title of publication | 5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione |
Authors of publication | Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan |
Journal of publication | IUCrData |
Year of publication | 2017 |
Journal volume | 2 |
Journal issue | 5 |
Pages of publication | x170639 |
a | 13.9601 ± 0.0002 Å |
b | 11.1172 ± 0.0002 Å |
c | 16.7313 ± 0.0003 Å |
α | 90° |
β | 96.019 ± 0.001° |
γ | 90° |
Cell volume | 2582.34 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/1546643.html
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Users of the data should acknowledge the original authors of the
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