Information card for entry 4024569

Structure parameters

• Formula: C25 H33 Br O4 Si
• Calculated formula: C25 H33 Br O4 Si
• SMILES: Brc1ccc2O[C@H]([C@H](c2c1)C(=O)OC)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
• Title of publication: Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan
• Authors of publication: Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4418 - 4421
• a: 7.4474 ± 0.0003 Å
• b: 9.3128 ± 0.0004 Å
• c: 35.4835 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2461 ± 0.17 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0218
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No