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Information card for entry 2016344
Preview
Coordinates | 2016344.cif |
---|---|
Structure factors | 2016344.hkl |
Original IUCr paper | HTML |
Chemical name | methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9H-fluorene-9,3'-pyrazolidine]- 4'-carboxylate |
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Formula | C24 H17 Cl2 N3 O2 |
Calculated formula | C24 H17 Cl2 N3 O2 |
SMILES | Clc1ccc(N2N(CC(Cl)(C32c2ccccc2c2ccccc32)C(=O)OC)C#N)cc1 |
Title of publication | 2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9<i>H</i>-fluorene-9,3'-1<i>H</i>-indazole]-1'-carbonitrile and methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9<i>H</i>-fluorene-9,3'-pyrazolidine]-4'-carboxylate |
Authors of publication | Bilewicz, Elżbieta; Małecka, Magdalena; Grabowski, Sławomir J.; Mlostoń, Grzegorz |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 12 |
Pages of publication | o739 - o742 |
a | 11.1818 ± 0.0005 Å |
b | 13.2534 ± 0.0004 Å |
c | 28.1265 ± 0.0011 Å |
α | 90° |
β | 96.363 ± 0.003° |
γ | 90° |
Cell volume | 4142.6 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0662 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/2016344.html
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Users of the data should acknowledge the original authors of the
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