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Information card for entry 7055442
Preview
Coordinates | 7055442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H26 N4 O4 |
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Calculated formula | C30 H26 N4 O4 |
SMILES | O(C)c1cc2cc([C@@H]3[C@]4([C@]5(N(C3)C)c3c(NC5=O)cccc3)C(=O)Nc3ccccc43)c(OC)nc2cc1.O(C)c1cc2cc([C@H]3[C@@]4([C@@]5(N(C3)C)c3c(NC5=O)cccc3)C(=O)Nc3ccccc43)c(OC)nc2cc1 |
Title of publication | Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores |
Authors of publication | Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 6 |
Pages of publication | 5164 |
a | 12.0551 ± 0.0003 Å |
b | 18.3685 ± 0.0004 Å |
c | 12.3323 ± 0.0003 Å |
α | 90° |
β | 90.898 ± 0.001° |
γ | 90° |
Cell volume | 2730.46 ± 0.11 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0913 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1195 |
Weighted residual factors for all reflections included in the refinement | 0.1326 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.