Information card for entry 7151303

Structure parameters

• Formula: C63 H78 Cl6 N6 O12 S3
• Calculated formula: C63 H78 Cl6 N6 O12 S3
• Title of publication: Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.
• Authors of publication: Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 21
• Pages of publication: 3938 - 3944
• a: 14.362 ± 0.0006 Å
• b: 14.73 ± 0.0006 Å
• c: 18.993 ± 0.0006 Å
• α: 67.851 ± 0.001°
• β: 70.264 ± 0.001°
• γ: 80.386 ± 0.001°
• Cell volume: 3499.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No