Information card for entry 8106098

Structure parameters

• Formula: C19 H27 N O3
• Calculated formula: C19 H27 N O3
• Title of publication: The crystal structure of the formamide solvate of (17b)-estra-1,3,5(10)-triene-3,17diol, C19H27NO3
• Authors of publication: Wang, Hui P.; Xu, Juan; Ning, Li F.; Li, Peng; Chen, Xiao F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 199 - 201
• a: 8.1564 ± 0.0016 Å
• b: 16.937 ± 0.003 Å
• c: 24.686 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3410.2 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No