Information card for entry 7055442

Structure parameters

• Formula: C30 H26 N4 O4
• 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 ų
• 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