Information card for entry 4026282

Structure parameters

• Formula: C20 H21 N3 O S2
• Calculated formula: C20 H21 N3 O S2
• Title of publication: Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles
• Authors of publication: Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4082 - 4087
• a: 13.1526 ± 0.0004 Å
• b: 15.4333 ± 0.0005 Å
• c: 38.6669 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7848.9 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No