Information card for entry 1502614

Structure parameters

• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: c1(=O)c(c(c2ccccc2n1CC)C)C(=O)N(CC=C)CC=C
• Title of publication: Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.
• Authors of publication: Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6168 - 6171
• a: 16.127 ± 0.002 Å
• b: 9.1351 ± 0.0014 Å
• c: 12.0699 ± 0.0017 Å
• α: 90°
• β: 102.693 ± 0.002°
• γ: 90°
• Cell volume: 1734.7 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No