Information card for entry 1554315

Structure parameters

• Formula: C20 H40.5 O3.25 Si
• Calculated formula: C20 H40.5 O3.25 Si
• Title of publication: A more reliable synthesis of a Gemini vitamin D analog, a potentially effective chemotherapeutic agent for the treatment of colorectal carcinomas
• Authors of publication: Santalla, Hugo; Garrido, Fátima; Gómez, Generosa; Fall, Yagamare
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 13
• Pages of publication: 2016
• a: 7.3563 ± 0.0012 Å
• b: 46.699 ± 0.007 Å
• c: 12.909 ± 0.002 Å
• α: 90°
• β: 92.798 ± 0.004°
• γ: 90°
• Cell volume: 4429.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2634
• Residual factor for significantly intense reflections: 0.1846
• Weighted residual factors for significantly intense reflections: 0.3663
• Weighted residual factors for all reflections included in the refinement: 0.4018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No