Information card for entry 7058870

Structure parameters

• Formula: C23 H28 N2 O2
• Calculated formula: C23 H28 N2 O2
• Title of publication: Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility
• Authors of publication: Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16889
• a: 8.5213 ± 0.0007 Å
• b: 9.9194 ± 0.0006 Å
• c: 24.5146 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.087
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No