Information card for entry 8106141

Structure parameters

• Formula: C40 H50 N2 O4
• Calculated formula: C40 H50 N2 O4
• Title of publication: Crystal structure of dimethyl 3,9-dibenzyl-6,12-dicyclohexyl-3,9-diazahexacyclo [6.4.0.02,7.04,11.05,10]-dodecane-1,11-dicarboxylate, C40H50N2O4
• Authors of publication: Zhu, Hao; Li, Yi-Fan; Guo, Ying-Ying; Liu, Shan; Lan, Han-Yang; Zhuang, Peng-Yu; Zhong, Qi-Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 325 - 326
• a: 10.355 ± 0.002 Å
• b: 17.809 ± 0.004 Å
• c: 8.9354 ± 0.0016 Å
• α: 90°
• β: 97.101 ± 0.004°
• γ: 90°
• Cell volume: 1635.2 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No