Information card for entry 1557519

Structure parameters

• Chemical name: Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate
• Formula: C27 H33 N7 O3
• Calculated formula: C27 H33 N7 O3
• Title of publication: Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate
• Authors of publication: Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 3
• Pages of publication: x200281
• a: 16.7781 ± 0.0017 Å
• b: 16.3902 ± 0.0018 Å
• c: 4.7894 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1317.1 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes