Information card for entry 2227585

Structure parameters

• Chemical name: 3'-Benzoyl-1'-methyl-4'-phenylspiro[acenaphthylene-1(2<i>H</i>),2'- pyrrolidin]-2-one
• Formula: C29 H23 N O2
• Calculated formula: C29 H23 N O2
• SMILES: C1(=O)c2cccc3cccc(c23)[C@@]21[C@H]([C@@H](CN2C)c1ccccc1)C(=O)c1ccccc1.C1(=O)c2cccc3cccc(c23)[C@]21[C@@H]([C@H](CN2C)c1ccccc1)C(=O)c1ccccc1
• Title of publication: 3'-Benzoyl-1'-methyl-4'-phenylspiro[acenaphthylene-1(2<i>H</i>),2'-pyrrolidin]-2-one
• Authors of publication: Augustine, T.; Vithiya, Scholastica Mary; Ignacimuthu, S.; Ramkumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3002
• a: 8.6462 ± 0.0004 Å
• b: 15.8352 ± 0.0008 Å
• c: 16.7174 ± 0.0008 Å
• α: 90°
• β: 99.827 ± 0.002°
• γ: 90°
• Cell volume: 2255.27 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes