Information card for entry 2011302

Structure parameters

• Common name: N-methyl-4'-methoxy-4-stilbazolium tetraphenylborate
• Chemical name: 4-[2-(4-methoxyphenyl)ethenyl]-N-methylpyridinum tetraphenylborate
• Formula: C39 H36 B N O
• Calculated formula: C39 H36 B N O
• SMILES: O(c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 4-[2-(4-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate
• Authors of publication: Li, Shu-Jin; Zhang, De-Chun; Huang, Zhong-Lin; Zhang, Yan-Qiu; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1122 - 1123
• a: 13.029 ± 0.002 Å
• b: 10.819 ± 0.002 Å
• c: 21.66 ± 0.003 Å
• α: 90°
• β: 99.16 ± 0.01°
• γ: 90°
• Cell volume: 3014.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes