Information card for entry 2216318

Structure parameters

• Common name: (2E)-4-(2-chlorophenyl)-1-[(spiro-3'-indolino)-1-(2- chlorophenyl)decahydro-1H-pyrrolo[1,2-a]indol-2-yl]but-2-en-1-one
• Chemical name: (2E)-3-(2-Chlorophenyl)-1-[1'-(2-chlorophenyl)indoline-3-spiro-3'- perhydropyrrolo[1,2-<i>a</i>]indol-2'-yl]prop-2-en-1-one
• Formula: C33 H30 Cl2 N2 O2
• Calculated formula: C33 H30 Cl2 N2 O2
• SMILES: Clc1c(/C=C/C(=O)[C@H]2[C@]3(N4[C@H]([C@@H]2c2ccccc2Cl)C[C@@H]2CCCC[C@@H]42)c2ccccc2NC3=O)cccc1.Clc1c(/C=C/C(=O)[C@@H]2[C@@]3(N4[C@@H]([C@H]2c2ccccc2Cl)C[C@H]2CCCC[C@H]42)c2ccccc2NC3=O)cccc1
• Title of publication: (2<i>E</i>)-3-(2-Chlorophenyl)-1-[1'-(2-chlorophenyl)indoline-3-spiro-3'-perhydropyrrolo[1,2-<i>a</i>]indol-2'-yl]prop-2-en-1-one
• Authors of publication: P. Ramesh; S. Murugavel; A. Subbiah Pandi; Ramalingam Murugan; S. Sriman Narayanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4851 - o4851
• a: 24.8293 ± 0.0016 Å
• b: 9.6387 ± 0.0006 Å
• c: 24.0094 ± 0.0017 Å
• α: 90°
• β: 100.912 ± 0.003°
• γ: 90°
• Cell volume: 5642.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes