Information card for entry 7228413

Structure parameters

• Formula: C24 H20 O2
• Calculated formula: C24 H20 O2
• SMILES: O(c1c2c(c(c3ccc(c4ccccc4)cc3)cc1OC)cccc2)C
• 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: 6.6111 ± 0.0003 Å
• b: 9.883 ± 0.0005 Å
• c: 14.47 ± 0.0008 Å
• α: 106.574 ± 0.002°
• β: 94.682 ± 0.002°
• γ: 104.105 ± 0.002°
• Cell volume: 867.14 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No