Information card for entry 2101530

Structure parameters

• Formula: C27 H50 O6
• Calculated formula: C27 H50 O6
• Title of publication: Crystal and molecular structure of 1,25-dihydroxycholecalciferol
• Authors of publication: Suwińska, K.; Kutner, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 550 - 554
• a: 6.234 ± 0.002 Å
• b: 15.628 ± 0.003 Å
• c: 30.749 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2995.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2232
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections: 0.2751
• Weighted residual factors for significantly intense reflections: 0.1854
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.212
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No