Information card for entry 2218333

Structure parameters

• Chemical name: (4<i>S</i>)-4-(3,4-Dichlorophenyl)-1'-methyl-4'-phenyl-3,4-dihydro- naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-1''-acenaphthylene-1,2''(2H,1''H)- dione
• Formula: C37 H27 Cl2 N O2
• Calculated formula: C37 H27 Cl2 N O2
• SMILES: Clc1cc([C@@H]2C[C@]3(C(=O)c4c2cccc4)[C@@]2(N(C[C@@H]3c3ccccc3)C)C(=O)c3c4c2cccc4ccc3)ccc1Cl.Clc1cc([C@H]2C[C@@]3(C(=O)c4c2cccc4)[C@]2(N(C[C@H]3c3ccccc3)C)C(=O)c3c4c2cccc4ccc3)ccc1Cl
• Title of publication: (4<i>S</i>)-4-(3,4-Dichlorophenyl)-1'-methyl-4'-phenyl-3,4-dihydronaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-1''-acenaphthylene-1,2''(2<i>H</i>,1''<i>H</i>)-dione
• Authors of publication: Murugan, R.; Gunasekaran, B.; Narayanan, S. Sriman; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1089
• a: 39.6142 ± 0.0012 Å
• b: 8.3031 ± 0.0002 Å
• c: 18.181 ± 0.0005 Å
• α: 90 ± 0.002°
• β: 101.135 ± 0.003°
• γ: 90 ± 0.002°
• Cell volume: 5867.5 ± 0.3 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: 0.0753
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes