Information card for entry 2004486

Structure parameters

• Formula: C26 H45 Na O6
• Calculated formula: C27 H46 Na O6
• Title of publication: Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate)
• Authors of publication: Wahle, M. C.; Stowell, J. G.; Byrn, S. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 325 - 328
• a: 7.7383 ± 0.0017 Å
• b: 15.098 ± 0.002 Å
• c: 22.515 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2630.5 ± 0.9 ų
• Cell temperature: 295 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 significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No