Information card for entry 1518567

Structure parameters

• Formula: C24 H22 Br N O3
• Calculated formula: C24 H22 Br N O3
• SMILES: Brc1c(OC)c2c(cc1OC)CC1=CC(=O)N([C@@]31c1ccccc1C=C[C@H]23)CC
• Title of publication: Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.
• Authors of publication: Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 676 - 679
• a: 8.9945 ± 0.0002 Å
• b: 12.4644 ± 0.0002 Å
• c: 17.7143 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1985.97 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No