Information card for entry 1505302

Structure parameters

• Formula: C56 H46
• Calculated formula: C56 H46
• SMILES: CC(c1c2Cc3c(c2c(c2c1ccc1c2c2c(cc1)ccc1c2c(c2ccccc2)c2c4ccccc4Cc2c1C(C)(C)C)c1ccccc1)cccc3)(C)C
• Title of publication: Synthesis and structures of diindeno-fused 1,12-diphenylbenzo[c]phenanthrene and 1,14-diphenyl[5]helicene bearing severe helical twists.
• Authors of publication: Zhang, Yanzhong; Petersen, Jeffrey L.; Wang, Kung K.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1025 - 1028
• a: 18.5363 ± 0.0013 Å
• b: 15.7011 ± 0.0011 Å
• c: 13.4032 ± 0.0009 Å
• α: 90°
• β: 93.638 ± 0.001°
• γ: 90°
• Cell volume: 3893 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No