Information card for entry 1540497

Structure parameters

• Chemical name: 8Me-[8]CMP
• Formula: C62.9 H62.9 Cl2.71
• Calculated formula: C62.904 H62.904 Cl2.712
• Title of publication: Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
• Authors of publication: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 896
• a: 14.3269 ± 0.0011 Å
• b: 17.0916 ± 0.0012 Å
• c: 42.481 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10402.3 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No