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Information card for entry 2224835
Preview
Coordinates | 2224835.cif |
---|---|
Structure factors | 2224835.hkl |
Original IUCr paper | HTML |
Chemical name | 1'-Benzyl-4,4''-bis(4-chlorophenyl)-3-(2,6-dichlorophenyl)-1''-methyl-4,5- dihydroisoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''- spiro-3'''-indoline-2''',4'-dione |
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Formula | C43 H34 Cl4 N4 O3 |
Calculated formula | C43 H34 Cl4 N4 O3 |
SMILES | Clc1ccc(cc1)[C@@H]1C(=NO[C@@]21CN(Cc1ccccc1)C[C@]1(C2=O)[C@@H](CN([C@@]21C(=O)Nc1c2cccc1)C)c1ccc(cc1)Cl)c1c(Cl)cccc1Cl.Clc1ccc(cc1)[C@H]1C(=NO[C@]21CN(Cc1ccccc1)C[C@@]1(C2=O)[C@H](CN([C@]21C(=O)Nc1c2cccc1)C)c1ccc(cc1)Cl)c1c(Cl)cccc1Cl |
Title of publication | 1'-Benzyl-4,4''-bis(4-chlorophenyl)-3-(2,6-dichlorophenyl)-1''-methyl-4,5-dihydroisoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''-spiro-3'''-indoline-2''',4'-dione |
Authors of publication | Hou, Yongjiang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 1 |
Pages of publication | o139 |
a | 25.588 ± 0.005 Å |
b | 8.8028 ± 0.0018 Å |
c | 33.195 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7477 ± 3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0565 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Weighted residual factors for all reflections included in the refinement | 0.1282 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/2224835.html
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