Information card for entry 7211454

Structure parameters

• Formula: C51 H41 N7 O7
• Calculated formula: C51 H41 N7 O7
• 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: 8.6103 ± 0.0013 Å
• b: 31.467 ± 0.005 Å
• c: 16.826 ± 0.003 Å
• α: 90°
• β: 103.106 ± 0.003°
• γ: 90°
• Cell volume: 4440.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No