Information card for entry 2232715

Structure parameters

• Chemical name: 7'-Phenyl-5',6',7',7a'-tetrahydrodipiro[indan-2,5'- pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione
• Formula: C28 H21 N O3 S
• Calculated formula: C28 H21 N O3 S
• SMILES: S1C[C@H]2N(C3(C(=O)c4ccccc4C3=O)[C@@]3(C(=O)c4ccccc4C3)[C@@H]2c2ccccc2)C1.S1C[C@@H]2N(C3(C(=O)c4ccccc4C3=O)[C@]3(C(=O)c4ccccc4C3)[C@H]2c2ccccc2)C1
• Title of publication: 7'-Phenyl-5',6',7',7a'-tetrahydrodipiro[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; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3218 - o3219
• a: 19.3315 ± 0.0006 Å
• b: 9.6523 ± 0.0003 Å
• c: 29.9731 ± 0.0008 Å
• α: 90°
• β: 127.817 ± 0.002°
• γ: 90°
• Cell volume: 4418.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes