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Information card for entry 2020276
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Coordinates | 2020276.cif |
---|---|
Structure factors | 2020276.hkl |
Original IUCr paper | HTML |
Chemical name | 1,1''-Dibenzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione |
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Formula | C44 H33 Cl N2 O3 |
Calculated formula | C44 H33 Cl N2 O3 |
SMILES | c12ccccc1[C@@]1(C(=O)N2Cc2ccccc2)[C@@]2([C@@H]([C@@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)Cc1ccccc1.c12ccccc1[C@]1(C(=O)N2Cc2ccccc2)[C@]2([C@H]([C@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)Cc1ccccc1 |
Title of publication | Structural consequences of weak interactions in dispirooxindole derivatives |
Authors of publication | Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 11 |
a | 10.1099 ± 0.001 Å |
b | 11.3367 ± 0.0011 Å |
c | 17.0315 ± 0.0017 Å |
α | 74.755 ± 0.002° |
β | 78.503 ± 0.002° |
γ | 65.557 ± 0.002° |
Cell volume | 1705.4 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for significantly intense reflections | 0.1471 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
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/2020276.html
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Users of the data should acknowledge the original authors of the
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