Information card for entry 7150777

Structure parameters

• Common name: (E)-1,3-bis(4-bromobenzyl)-2-(3-methoxy-2-methyl-3-oxo-1- (phenylamino)prop-1-enyl)-1H-benzo(d)imidazol-3-ium tetrafluoroborate
• Formula: C32 H28 B Br2 F4 N3 O2
• Calculated formula: C32 H28 B Br2 F4 N3 O2
• Title of publication: Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles
• Authors of publication: Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 5010 - 5019
• a: 10.8497 ± 0.0012 Å
• b: 17.4399 ± 0.0018 Å
• c: 16.2784 ± 0.0017 Å
• α: 90°
• β: 98.769 ± 0.003°
• γ: 90°
• Cell volume: 3044.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No