Information card for entry 7153891

Structure parameters

• Formula: C38 H42 N2 O6 Rh2
• Calculated formula: C38 H42 N2 O6 Rh2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]162345N(C(=O)c2ccccc12)[Rh]12345([c]7([c]1([c]2([c]3([c]47C)C)C)C)COC(=O)C)N6C(=O)c1ccccc51)C)C)C)COC(=O)C
• Title of publication: Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of benzohydroxamic acids and α-diazoesters. A facile synthesis of functionalized benzolactams.
• Authors of publication: Lam, Hon-Wah; Man, Ka-Yi; Chan, Wai-Wing; Zhou, Zhongyuan; Yu, Wing-Yiu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 24
• Pages of publication: 4112 - 4116
• a: 34.5934 ± 0.0006 Å
• b: 34.5934 ± 0.0006 Å
• c: 8.2566 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8556.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No