Information card for entry 7227085

Structure parameters

• Chemical name: 3-(2'-hydroxybenzylidene)nopinone
• Formula: C16 H18 O2
• Calculated formula: C16 H18 O2
• SMILES: C(=C\1C(=O)[C@@H]2C([C@H](C1)C2)(C)C)\c1c(O)cccc1
• Title of publication: Synthesis, optical properties, and acid-base indicating performance of novel ketene hydroxybenzylidene nopinone derivatives
• Authors of publication: Yang, Jinlai; Xu, Xu; Yang, Yiqin; Rui, Jian; Zhang, Yan; Kuang, Hongbo; Wang, Shifa; Wu, Liangru
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.938 ± 0.004 Å
• b: 11.742 ± 0.005 Å
• c: 12.745 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1337.6 ± 1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No