Information card for entry 4131720

Structure parameters

• Formula: C66.75 H57.75
• Calculated formula: C66.75 H57.75
• Title of publication: Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.
• Authors of publication: Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 44
• Pages of publication: 15933 - 15939
• a: 8.956 ± 0.0007 Å
• b: 12.4495 ± 0.0009 Å
• c: 23.3598 ± 0.0018 Å
• α: 81.01 ± 0.004°
• β: 89.536 ± 0.003°
• γ: 83.021 ± 0.004°
• Cell volume: 2553.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No