Information card for entry 1518566

Structure parameters

• Formula: C24 H27 N O3
• Calculated formula: C24 H27 N O3
• SMILES: O=C1N([C@]23[C@H](C1)Cc1c([C@H]2CCc2c3cccc2)c(OC)cc(OC)c1)CC.O=C1N([C@@]23[C@@H](C1)Cc1c([C@@H]2CCc2c3cccc2)c(OC)cc(OC)c1)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: 13.1285 ± 0.0008 Å
• b: 8.9817 ± 0.0005 Å
• c: 17.2111 ± 0.001 Å
• α: 90°
• β: 107.754 ± 0.003°
• γ: 90°
• Cell volume: 1932.8 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No