Information card for entry 1543400

Structure parameters

• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: [C@@H]12[C@]3([C@H]4C(=O)[C@]1(CCCC2)N34)c1ccccc1.[C@H]12[C@@]3([C@@H]4C(=O)[C@@]1(CCCC2)N34)c1ccccc1
• Title of publication: A Light-Induced Vinylogous Nazarov-Type Cyclization.
• Authors of publication: Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3043 - 3045
• a: 9.7259 ± 0.001 Å
• b: 12.0868 ± 0.0008 Å
• c: 19.6834 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2313.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No