Information card for entry 4024422

Structure parameters

• Formula: C20 H23 Br O2
• Calculated formula: C20 H23 Br O2
• SMILES: Brc1ccc(C(=O)OCC[C@@H]2[C@H]3[C@@H]4CC[C@H]([C@H]3C=C2C)C4)cc1
• Title of publication: Rhodium-Catalyzed Vinylcyclopropanation/Cyclopentenation of Strained Alkenes via a Sequential Carborhodation Process
• Authors of publication: Nai-Wen Tseng; Mark Lautens
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2521 - 2526
• a: 6.9387 ± 0.0002 Å
• b: 13.8095 ± 0.0005 Å
• c: 18.6075 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.97 ± 0.1 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: 0.0714
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0861
• 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: No
• Has Fobs: No