Information card for entry 1546634

Structure parameters

• Chemical name: 3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione
• Formula: C33 H27 N O2
• Calculated formula: C33 H27 N O2
• SMILES: C1(=O)c2cccc3cccc(c23)[C@@]21[C@@]1([C@@H](CN2C)c2ccccc2)CC/C(=C\c2ccccc2)C1=O.C1(=O)c2cccc3cccc(c23)[C@]21[C@]1([C@H](CN2C)c2ccccc2)CC/C(=C\c2ccccc2)C1=O
• Title of publication: 3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione
• Authors of publication: Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 4
• Pages of publication: x170581
• a: 17.5297 ± 0.0008 Å
• b: 12.1853 ± 0.0006 Å
• c: 12.0781 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.94 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes