Information card for entry 2205868

Structure parameters

• Chemical name: 4'-(4-Methoxyphenyl)-1-methylchroman-3-spiro-3'-pyrrolidine-2'-spiro-2''- indan-4,1'',3''-trione
• Formula: C28 H23 N O4
• Calculated formula: C28 H23 N O4
• SMILES: N1(C2([C@@]3([C@H](C1)c1ccc(cc1)C)C(=O)c1ccccc1OC3)C(=O)c1ccccc1C2=O)C.N1(C2([C@]3([C@@H](C1)c1ccc(cc1)C)C(=O)c1ccccc1OC3)C(=O)c1ccccc1C2=O)C
• Title of publication: 4'-(4-Methoxyphenyl)-1-methylchroman-3-spiro-3'-pyrrolidine-2'-spiro-2''-indan-4,1'',3''-trione
• Authors of publication: S. Selvanayagam; D. Velmurugan; K. Ravikumar; J. Jayashankaran; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1582 - o1584
• a: 8.0652 ± 0.0006 Å
• b: 8.2977 ± 0.0006 Å
• c: 18.409 ± 0.0013 Å
• α: 80.057 ± 0.001°
• β: 84.796 ± 0.001°
• γ: 69.754 ± 0.001°
• Cell volume: 1137.86 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1556
• 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