Information card for entry 1507834

Structure parameters

• Formula: C66 H54
• Calculated formula: C66 H54
• Title of publication: Selective synthesis and crystal structure of [10]cycloparaphenylene.
• Authors of publication: Kayahara, Eiichi; Sakamoto, Yoichi; Suzuki, Toshiyasu; Yamago, Shigeru
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3284 - 3287
• a: 15.8912 ± 0.0016 Å
• b: 8.1477 ± 0.0006 Å
• c: 21.033 ± 0.002 Å
• α: 90°
• β: 108.855 ± 0.002°
• γ: 90°
• Cell volume: 2577.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No