Information card for entry 7151192

Structure parameters

• Formula: C34 H35 Br N3 O3 Re
• Calculated formula: C34 H35 Br N3 O3 Re
• SMILES: [Re]1(Br)([n]2c3[C@H]([C@H]4C[C@@H](c3ccc2c2[n]1c(ccc2)c1nc2c(cc1)[C@@H]1C[C@H]([C@@H]2C)C1(C)C)C4(C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.
• Authors of publication: Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 3859 - 3864
• a: 7.893 ± 0.002 Å
• b: 14.212 ± 0.003 Å
• c: 28.551 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3202.7 ± 1.3 ų
• Cell temperature: 301 ± 1 K
• Number of distinct elements: 6
• 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: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No