Information card for entry 4032253

Structure parameters

• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• SMILES: c12c(/C(=C\C)c3ccccc3)c(O)ccc1cccc2
• Title of publication: An Approach to the Synthesis of 1-Propenylnaphthols and 3-Arylnaphtho[2,1-b]furans.
• Authors of publication: Huang, Jin; Wang, Wei; He, Hai-Yu; Jian, Lei; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2523 - 2534
• a: 6.75819 ± 0.00013 Å
• b: 8.55021 ± 0.00016 Å
• c: 24.5163 ± 0.0005 Å
• α: 90°
• β: 97.7995 ± 0.0019°
• γ: 90°
• Cell volume: 1403.54 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0658
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No