Information card for entry 1507618

Structure parameters

• Formula: C23 H18 Br N3 O2
• Calculated formula: C23 H18 Br N3 O2
• SMILES: Brc1ccc(cc1)COC(=O)[C@@]1(C[C@]1(c1ccccc1)N=N#N)c1ccccc1
• Title of publication: Enantioselective Preparation of cis-β-Azidocyclopropane Esters by Cyclopropanation of Azido Alkenes Using a Chiral Dirhodium Catalyst.
• Authors of publication: Gu, Peiming; Su, Yan; Wu, Xiu-Ping; Sun, Jian; Liu, Wanyi; Xue, Ping; Li, Rui
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2246 - 2249
• a: 7.158 ± 0.006 Å
• b: 13.583 ± 0.012 Å
• c: 21.526 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No