Information card for entry 2206884

Structure parameters

• Chemical name: 4-[Bis(2-methyl-1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-3-phenylazetidin- 2-one
• Formula: C35 H31 N3 O2
• Calculated formula: C35 H31 N3 O2
• SMILES: O=C1N([C@H]([C@H]1c1ccccc1)C(c1c([nH]c2ccccc12)C)c1c([nH]c2ccccc12)C)c1ccc(OC)cc1.O=C1N([C@@H]([C@@H]1c1ccccc1)C(c1c([nH]c2ccccc12)C)c1c([nH]c2ccccc12)C)c1ccc(OC)cc1
• Title of publication: 4-[Bis(2-methyl-1<i>H</i>-indol-3-yl)methyl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
• Authors of publication: S. Selvanayagam; D. Velmurugan; K. Ravikumar; B. Sridhar; E. Ramesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3386 - o3388
• a: 11.9751 ± 0.0007 Å
• b: 13.4815 ± 0.0008 Å
• c: 17.2114 ± 0.0011 Å
• α: 90°
• β: 91.978 ± 0.001°
• γ: 90°
• Cell volume: 2777 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes