Information card for entry 7228412

Structure parameters

• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: O(C)c1c(O)c2c(c(c3ccccc3)ccc2)cc1
• Title of publication: Metal triflate promoted synthesis of naphthalenes
• Authors of publication: Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 47
• Pages of publication: 29321
• a: 13.3885 ± 0.0003 Å
• b: 66.3135 ± 0.0018 Å
• c: 5.5816 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4955.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No