Information card for entry 4131721

Structure parameters

• Formula: C34 H24
• Calculated formula: C34 H24
• SMILES: c1ccc2c(c3c4c5cc6c7c(c8ccccc8c(c7c6cc5ccc4c3c(c2c1)C)C)C)C
• 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: 19.9832 ± 0.0008 Å
• b: 5.5314 ± 0.0002 Å
• c: 22.3395 ± 0.0012 Å
• α: 90°
• β: 116.496 ± 0.001°
• γ: 90°
• Cell volume: 2209.94 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No