Information card for entry 1543402

Structure parameters

• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• SMILES: [nH]1c2C(=O)[C@H]3CCCC[C@@H]3c3ccccc3c2c(c1C)C(=O)C.[nH]1c2C(=O)[C@@H]3CCCC[C@H]3c3ccccc3c2c(c1C)C(=O)C
• 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: 9.9913 ± 0.0004 Å
• b: 11.2227 ± 0.0005 Å
• c: 14.6382 ± 0.0007 Å
• α: 84.38 ± 0.003°
• β: 84.025 ± 0.002°
• γ: 81.612 ± 0.002°
• Cell volume: 1609.27 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No