Information card for entry 7154126

Structure parameters

• Chemical name: (R)-N-(1-Phenylethyl)-2-chromonecarboxamide
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: c1(cc(=O)c2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
• Title of publication: Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
• Authors of publication: Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 9644 - 9649
• a: 13.4156 ± 0.0006 Å
• b: 13.4156 ± 0.0006 Å
• c: 28.813 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4491 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No