Information card for entry 7224946

Structure parameters

• Chemical name: Estradiol
• Formula: C24 H30 N2 O3
• Calculated formula: C24 H30 N2 O3
• SMILES: O=C(N)c1ccncc1.Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
• Title of publication: Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability
• Authors of publication: Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 3498
• a: 7.4337 ± 0.0001 Å
• b: 9.2677 ± 0.0001 Å
• c: 17.007 ± 0.0003 Å
• α: 74.3 ± 0.001°
• β: 79.907 ± 0.001°
• γ: 68.455 ± 0.001°
• Cell volume: 1045.37 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No