Information card for entry 4107358

Structure parameters

• Formula: C20 H27 N O4
• Calculated formula: C20 H27 N O4
• SMILES: C1(=O)[C@@]2([C@@](c3ccccc3O1)(CC)[C@](C2)(C)OC)C(=O)N(CC)CC.C1(=O)[C@]2([C@](c3ccccc3O1)(CC)[C@@](C2)(C)OC)C(=O)N(CC)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: 14.1734 ± 0.0017 Å
• b: 14.2085 ± 0.0017 Å
• c: 19.193 ± 0.002 Å
• α: 90°
• β: 106.093 ± 0.001°
• γ: 90°
• Cell volume: 3713.7 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No