Information card for entry 7152861

Structure parameters

• Formula: C42 H40 O2
• Calculated formula: C42 H38 O2
• SMILES: O(c1ccc2ccc3c4cc(cc5c6c7cc(OC)ccc7ccc6c6cc(cc(c3c2c1)c6c45)C(C)(C)C)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: 17.855 ± 0.002 Å
• b: 6.2136 ± 0.0007 Å
• c: 27.618 ± 0.003 Å
• α: 90°
• β: 104.351 ± 0.0017°
• γ: 90°
• Cell volume: 2968.4 ± 0.6 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No