Information card for entry 2233980

Structure parameters

• Common name: 7'-(2,5-Dimethoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[indan-2,5'- pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione
• Chemical name: 3'-(2,5-dimethoxyphenyl)-1,1'',3,3',3'',3'a,4',6'-octahydrodispiro[indene- 2,1'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-2',2''-indene]-1,1'',3-trione
• Formula: C30 H25 N O5 S
• Calculated formula: C30 H25 N O5 S
• SMILES: S1CN2[C@H](C1)[C@H]([C@@]1(C32C(=O)c2ccccc2C3=O)C(=O)c2ccccc2C1)c1cc(OC)ccc1OC.S1CN2[C@@H](C1)[C@@H]([C@]1(C32C(=O)c2ccccc2C3=O)C(=O)c2ccccc2C1)c1cc(OC)ccc1OC
• Title of publication: 7'-(2,5-Dimethoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[indan-2,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione
• Authors of publication: Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Razak, Ibrahim Abdul; Arshad, Suhana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o560 - o561
• a: 9.0425 ± 0.0004 Å
• b: 11.1127 ± 0.0005 Å
• c: 13.3005 ± 0.0006 Å
• α: 68.016 ± 0.001°
• β: 84.588 ± 0.001°
• γ: 79.735 ± 0.001°
• Cell volume: 1218.95 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0501
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes