Information card for entry 4024915

Structure parameters

• Formula: C32 H53 Br O3 Si2
• Calculated formula: C32 H53 Br O3 Si2
• SMILES: BrC1=C[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2[C@H]([C@@H]1COCc1ccccc1)C=C)O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C
• Title of publication: Studies on the Synthesis of the ABC Rings of (\±)-Hexacyclinic Acid
• Authors of publication: Paul A. Clarke; Andrew P. Cridland; Gabriele A. Rolla; Mudassar Iqbal; Nigel P. Bainbridge; Adrian C. Whitwood; Claire Wilson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7812 - 7821
• a: 10.1833 ± 0.0008 Å
• b: 16.714 ± 0.0013 Å
• c: 20.099 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3420.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No