Information card for entry 8105362

Structure parameters

• Formula: C38 H24
• Calculated formula: C38 H24
• SMILES: c12c3c4c5c(c6ccccc6)c(c6ccccc6)ccc5ccc4ccc3c3c(c1cccc2)cccc3
• Title of publication: Crystal structure of 5,6-diphenyldibenzo[c, g]chrysene, C38H24
• Authors of publication: Bin, Zhang; Xin, Chen; Songhua, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1009 - 1010
• a: 37.6829 ± 0.0014 Å
• b: 7.4695 ± 0.0003 Å
• c: 17.4881 ± 0.0007 Å
• α: 90°
• β: 95.269 ± 0.003°
• γ: 90°
• Cell volume: 4901.6 ± 0.3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 2
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No