Information card for entry 7101652

Structure parameters

• Formula: C16 H19 Br N2 O3
• Calculated formula: C16 H19 Br N2 O3
• SMILES: [C@@]1(C(=O)Nc2c(Br)cccc12)(C(=O)N1[C@@H](CCC1)COC)C
• Title of publication: The remarkable effect of the 7-substituent in the diastereoselective oxidative rearrangement of indoles: asymmetric synthesis of 3,3-disubstituted oxindoles.
• Authors of publication: Lachia, Mathilde; Poriel, Cyril; Slawin, Alexandra M Z; Moody, Christopher J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 286 - 288
• a: 8.5669 ± 0.0014 Å
• b: 12.7503 ± 0.0016 Å
• c: 14.9 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1627.6 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.023
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No