Information card for entry 7225709

Structure parameters

• Formula: C20 H40 O3 Si
• Calculated formula: C20 H40 O3 Si
• Title of publication: [3,3]-Sigmatropic rearrangement mediated synthesis of chiral building blocks for the preparation of Gemini and its analogs
• Authors of publication: Pazos, Gonzalo; Pérez, Manuel; Gándara, Zoila; Gómez, Generosa; Fall, Yagamare
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 66
• Pages of publication: 61073
• a: 7.199 ± 0.003 Å
• b: 11.837 ± 0.005 Å
• c: 25.842 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No