Information card for entry 2203510

Structure parameters

• Chemical name: 1-N-methyl-spiro [2-2']-acenaphthen-1'-one-spiro-[3-2"] indan-1",3"-dione- 4-phenyl pyrrolidine
• Formula: C30 H21 N O3
• Calculated formula: C30 H21 N O3
• SMILES: N1([C@]2(C3([C@@H](C1)c1ccccc1)C(=O)c1ccccc1C3=O)C(=O)c1cccc3cccc2c13)C.N1([C@@]2(C3([C@H](C1)c1ccccc1)C(=O)c1ccccc1C3=O)C(=O)c1cccc3cccc2c13)C
• Title of publication: 1'-Methyl-4'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-2''-indan-2,1'',3''-trione
• Authors of publication: M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o547 - o549
• a: 7.9022 ± 0.0007 Å
• b: 11.9197 ± 0.001 Å
• c: 12.0382 ± 0.001 Å
• α: 84.444 ± 0.002°
• β: 84.649 ± 0.002°
• γ: 84.176 ± 0.002°
• Cell volume: 1118.76 ± 0.17 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: 0.0657
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes