Information card for entry 4107356

Structure parameters

• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• SMILES: o1c(=O)c(C(=O)N(CC)CC)c(c2c1cccc2)CC
• Title of publication: Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization
• Authors of publication: Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1132 - 1133
• a: 9.228 ± 0.002 Å
• b: 11.56 ± 0.003 Å
• c: 14.204 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1515.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No