Information card for entry 7152862

Structure parameters

• Formula: C44 H42
• Calculated formula: C44 H42
• SMILES: c12c3cc(cc1c1c(c4cc(cc(c5c3c3c(cc5)cc(cc3C)C)c24)C(C)(C)C)c2c(cc1)cc(cc2C)C)C(C)(C)C
• 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: 11.3212 ± 0.0006 Å
• b: 11.3699 ± 0.0006 Å
• c: 25.0897 ± 0.0014 Å
• α: 96.268 ± 0.004°
• β: 96.618 ± 0.004°
• γ: 90.287 ± 0.004°
• Cell volume: 3188.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No