Information card for entry 4106762

Structure parameters

• Formula: C31 H23
• Calculated formula: C31 H23
• SMILES: C1(=c2c(cc3cccc4cccc2c34)C2=Cc3cccc4cccc(C12)c34)CCCC
• Title of publication: Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals
• Authors of publication: Takashi Kubo; Yoshiki Katada; Akihiro Shimizu; Yasukazu Hirao; Kazunobu Sato; Takeji Takui; Mikio Uruichi; Kyuya Yakushi; Robert C. Haddon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14240 - 14243
• a: 26.0073 ± 0.0008 Å
• b: 11.9479 ± 0.0004 Å
• c: 12.9923 ± 0.0005 Å
• α: 90°
• β: 92.082 ± 0.001°
• γ: 90°
• Cell volume: 4034.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.056
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No