Information card for entry 4029352

Structure parameters

• Formula: C15 H17 Br N2 O3
• Calculated formula: C15 H17 Br N2 O3
• SMILES: Brc1cccc2c1N(C(=O)[C@@]12[C@H](C(=O)N(CC)CC)O1)C
• Title of publication: Enantio- and Diastereoselective Synthesis of Spiro-epoxyoxindoles.
• Authors of publication: Boucherif, Amina; Yang, Qing-Qing; Wang, Qiang; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 3924 - 3929
• a: 7.7315 ± 0.0006 Å
• b: 14.3537 ± 0.0011 Å
• c: 26.576 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No