Information card for entry 7211452

Structure parameters

• Formula: C51 H46 N6 O9
• Calculated formula: C51 H46 N6 O9
• Title of publication: Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives
• Authors of publication: Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 10079
• a: 8.981 ± 0.0009 Å
• b: 12.4978 ± 0.0012 Å
• c: 20.847 ± 0.002 Å
• α: 84.296 ± 0.002°
• β: 78.149 ± 0.002°
• γ: 76.41 ± 0.002°
• Cell volume: 2222.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No