Information card for entry 7151191

Structure parameters

• Formula: C27 H28 Br N2 O3 Re
• Calculated formula: C27 H28 Br N2 O3 Re
• SMILES: [Re]1(Br)([n]2c3C[C@H]4C[C@@H](c3ccc2c2[n]1c1c(cc2)[C@@H]2C[C@H](C1)C2(C)C)C4(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: 9.593 ± 0.0011 Å
• b: 10.5494 ± 0.0013 Å
• c: 13.618 ± 0.002 Å
• α: 76.415 ± 0.002°
• β: 85.266 ± 0.002°
• γ: 81.798 ± 0.002°
• Cell volume: 1324.2 ± 0.3 ų
• Cell temperature: 301 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No