Information card for entry 7231965

Structure parameters

• Formula: C37 H52 O5
• Calculated formula: C37 H52 O5
• 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: 7.31144 ± 0.00016 Å
• b: 9.2985 ± 0.0002 Å
• c: 12.3778 ± 0.0002 Å
• α: 89.7413 ± 0.0017°
• β: 88.0129 ± 0.0017°
• γ: 70.786 ± 0.002°
• Cell volume: 794.14 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No