Information card for entry 2219507

Structure parameters

• Chemical name: (1'S)-4-(3,4-Dichlorophenyl)-1'-(3,5-dimethoxyphenyl)- 1,2,3,4-tetrahydronaphthalene-2-spiro-2'-pyrrolizidine- 3'-spiro-3''-indoline-1,2''-dione
• Formula: C37 H32 Cl2 N2 O4
• Calculated formula: C37 H32 Cl2 N2 O4
• SMILES: COc1cc(OC)cc(c1)[C@H]1[C@@H]2CCCN2[C@]2([C@]31C[C@@H](c1ccc(c(c1)Cl)Cl)c1c(C3=O)cccc1)C(=O)Nc1c2cccc1.COc1cc(OC)cc(c1)[C@@H]1[C@H]2CCCN2[C@@]2([C@@]31C[C@H](c1ccc(c(c1)Cl)Cl)c1c(C3=O)cccc1)C(=O)Nc1c2cccc1
• Title of publication: (1'<i>S</i>)-4-(3,4-Dichlorophenyl)-1'-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-spiro-2'-pyrrolizidine-3'-spiro-3''-indoline-1,2''-dione
• Authors of publication: Kamala, E. Theboral Sugi; Murugan, R.; Nirmala, S.; Sudha, L.; Narayanan, S. Sriman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1958 - o1959
• a: 10.4475 ± 0.0003 Å
• b: 11.3047 ± 0.0003 Å
• c: 15.017 ± 0.0004 Å
• α: 87.925 ± 0.002°
• β: 70.322 ± 0.001°
• γ: 70.115 ± 0.002°
• Cell volume: 1564.29 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes