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Information card for entry 2229886
Preview
Coordinates | 2229886.cif |
---|---|
Structure factors | 2229886.hkl |
Original IUCr paper | HTML |
Chemical name | 5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-5-fluoro-1',1''-dimethylindoline- 3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione |
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Formula | C30 H26 Cl2 F N3 O2 |
Calculated formula | C30 H26 Cl2 F N3 O2 |
SMILES | Clc1ccc(cc1)/C=C/1CN(C[C@]2(C1=O)[C@H](c1ccc(Cl)cc1)CN([C@]12c2c(NC1=O)ccc(F)c2)C)C.Clc1ccc(cc1)/C=C/1CN(C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN([C@@]12c2c(NC1=O)ccc(F)c2)C)C |
Title of publication | 5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-5-fluoro-1',1''-dimethylindoline-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione |
Authors of publication | Sundar, J. Kalyana; Bala, B. Devi; Natarajan, S.; Suresh, J.; Lakshman, P. L. Nilantha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | o801 - o802 |
a | 16.694 ± 0.003 Å |
b | 8.705 ± 0.004 Å |
c | 18.474 ± 0.003 Å |
α | 90° |
β | 103.27 ± 0.04° |
γ | 90° |
Cell volume | 2613 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0774 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.1043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/2229886.html
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Users of the data should acknowledge the original authors of the
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