Information card for entry 4032348

Structure parameters

• Formula: C31 H26 O2
• Calculated formula: C31 H26 O2
• SMILES: O(c1c2cc(c3ccc(c4ccccc4)cc3)ccc2c(c2ccc(C)cc2)cc1OC)C
• Title of publication: Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.
• Authors of publication: Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 3317 - 3326
• a: 16.4015 ± 0.0013 Å
• b: 10.9309 ± 0.001 Å
• c: 25.431 ± 0.002 Å
• α: 90°
• β: 101.801 ± 0.003°
• γ: 90°
• Cell volume: 4463 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No