Information card for entry 2241575

Structure parameters

• Chemical name: 5''-Benzylidene-1'-methyl-4'-phenyltrispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2,6''-dione
• Formula: C36 H31 N O4
• Calculated formula: C36 H31 N O4
• SMILES: O=C1[C@]2(N(C[C@H]([C@]32CC2(OCCO2)C/C(=C\c2ccccc2)C3=O)c2ccccc2)C)c2c3c1cccc3ccc2.O=C1[C@@]2(N(C[C@@H]([C@@]32CC2(OCCO2)C/C(=C\c2ccccc2)C3=O)c2ccccc2)C)c2c3c1cccc3ccc2
• Title of publication: Crystal structure of 5''-benzylidene-1'-methyl-4'-phenyltrispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2,6''-dione
• Authors of publication: Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 387 - 390
• a: 10.8861 ± 0.0004 Å
• b: 11.4899 ± 0.0004 Å
• c: 11.9171 ± 0.0004 Å
• α: 83.83 ± 0.01°
• β: 65.253 ± 0.008°
• γ: 86.397 ± 0.01°
• Cell volume: 1345.6 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes