Information card for entry 4111380

Structure parameters

• Formula: C34 H52 O
• Calculated formula: C34 H52 O
• SMILES: O(C)c1ccc(cc1)[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@@H]1[C@H](C)CCCC(C)C)C
• Title of publication: Stille Cross-Couplings of Unactivated Secondary Alkyl Halides Using Monoorganotin Reagents
• Authors of publication: David A. Powell; Toshihide Maki; Gregory C. Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 510 - 511
• a: 16.2746 ± 0.0011 Å
• b: 9.462 ± 0.0007 Å
• c: 18.9247 ± 0.0014 Å
• α: 90°
• β: 95.45 ± 0.002°
• γ: 90°
• Cell volume: 2901 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No