Information card for entry 2004544

Structure parameters

• Chemical name: 5-Methoxybenzemethanamine 2-[(2,3-di(p-tolyl)-5-methyl-1H-inden-1-ylidene) (p-tolyl)-methyl]-N,N,-dimethyl.
• Formula: C42 H41 N O
• Calculated formula: C42 H41 N O
• SMILES: O(c1cc(c(/C(=C2\c3c(cc(cc3)C)C(=C2c2ccc(cc2)C)c2ccc(cc2)C)c2ccc(cc2)C)cc1)CN(C)C)C
• Title of publication: Dimethyl(2-{[2,3-di(<i>p</i>-tolyl)-5-methyl-1-indenylidene](<i>p</i>-tolyl)methyl}-5-methoxyphenylmethyl)amine
• Authors of publication: Fernández-G, J. M.; Solorzano-Maldonado, K.; Panneerselvam, K.; Rodríguez-Romero, A.; Soriano-García, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 460 - 462
• a: 12.3228 ± 0.0013 Å
• b: 13.0782 ± 0.0006 Å
• c: 11.6694 ± 0.0012 Å
• α: 98.505 ± 0.006°
• β: 105.878 ± 0.008°
• γ: 106.988 ± 0.006°
• Cell volume: 1676.1 ± 0.3 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: 0.0902
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections: 0.2186
• Weighted residual factors for significantly intense reflections: 0.1704
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No