Information card for entry 2202384

Structure parameters

• Formula: C31 H28 N2 O3
• Calculated formula: C31 H28 N2 O3
• SMILES: N1(C2([C@@]3([C@@H](C1)c1ccccc1)CN(C/C(=C\c1ccccc1)C3=O)C)C(=O)c1ccccc1C2=O)C.N1(C2([C@]3([C@H](C1)c1ccccc1)CN(C/C(=C\c1ccccc1)C3=O)C)C(=O)c1ccccc1C2=O)C
• Title of publication: 1<i>N</i>-Methyl-spiro[2-3']indan-1,3-dione-spiro[3-3'']-5''-benzylidene-<i>N</i>-methyl-piperidinone-4-phenylpyrrolidine
• Authors of publication: M.M.Govind; S.Selvanayagam; D.Velmurugan; K.Ravikumar; Gowri Sridhar; R.Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1680 - o1681
• a: 14.3186 ± 0.0011 Å
• b: 9.6801 ± 0.0007 Å
• c: 17.9616 ± 0.0013 Å
• α: 90°
• β: 91.19 ± 0.001°
• γ: 90°
• Cell volume: 2489 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 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: 0.1272
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes