Information card for entry 7231966

Structure parameters

• Chemical name: Beta Estradiol Propanol Solvate
• Formula: C21 H32 O3
• Calculated formula: C21 H32 O3
• 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: 6.58547 ± 0.00006 Å
• b: 23.9331 ± 0.0003 Å
• c: 12.23603 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928.53 ± 0.03 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No