Information card for entry 7231969

Structure parameters

• Chemical name: Estradiol Hemihydrate
• Formula: C18 H25 O2.5
• Calculated formula: C18 H25 O2.5
• Title of publication: The solid state forms of the sex hormone 17-β-estradiol
• Authors of publication: Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2154
• a: 6.54127 ± 0.00008 Å
• b: 12.05549 ± 0.00014 Å
• c: 19.2527 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1518.23 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No