Information card for entry 7152863

Structure parameters

• Formula: C42 H38 O2
• Calculated formula: C42 H38 O2
• Title of publication: Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.
• Authors of publication: Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2186 - 2197
• a: 10.1439 ± 0.0009 Å
• b: 20.8219 ± 0.0016 Å
• c: 30.084 ± 0.003 Å
• α: 72.507 ± 0.005°
• β: 85.489 ± 0.006°
• γ: 89.879 ± 0.006°
• Cell volume: 6040 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No