Information card for entry 1546643

Structure parameters

• Chemical name: 5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione
• Formula: C32 H30 N2 O4
• Calculated formula: C32 H30 N2 O4
• SMILES: O=C1/C(=C/c2ccccc2)CC2(OCCO2)C[C@]21[C@@H](CN(C)[C@@]12C(=O)Nc2ccccc12)c1ccccc1.O=C1/C(=C/c2ccccc2)CC2(OCCO2)C[C@@]21[C@H](CN(C)[C@]12C(=O)Nc2ccccc12)c1ccccc1
• Title of publication: 5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione
• Authors of publication: Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170639
• a: 13.9601 ± 0.0002 Å
• b: 11.1172 ± 0.0002 Å
• c: 16.7313 ± 0.0003 Å
• α: 90°
• β: 96.019 ± 0.001°
• γ: 90°
• Cell volume: 2582.34 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes