Information card for entry 1557371

Structure parameters

• Chemical name: (R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene
• Formula: C27 H19 N O3
• Calculated formula: C27 H19 N O3
• SMILES: O=Cc1cc2ccccc2c(c1O)c1c2ccccc2ccc1OCc1ncccc1
• Title of publication: Accurate chiral pattern recognition for amines from just a single chemosensor
• Authors of publication: Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3790 - 3796
• a: 7.1378 ± 0.0002 Å
• b: 9.8466 ± 0.0002 Å
• c: 14.7942 ± 0.0003 Å
• α: 88.9786 ± 0.0016°
• β: 79.0044 ± 0.0017°
• γ: 74.6213 ± 0.0019°
• Cell volume: 983.56 ± 0.04 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No