Information card for entry 7109420

Structure parameters

• Formula: C36 H34 O2
• Calculated formula: C36 H34 O2
• SMILES: c1c2c(/C=C/c3cccc(OCCC)c3)c3ccccc3c(c2ccc1)/C=C/c1cccc(OCCC)c1
• Title of publication: Alkoxy-position effects on piezofluorochromism and aggregation-induced emission of 9,10-bis(alkoxystyryl)anthracenes
• Authors of publication: Wei Liu; Yalong Wang; Mingxiao Sun; Deteng Zhang; Meng Zheng; Wenjun Yang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6042
• a: 5.4269 ± 0.0011 Å
• b: 8.9384 ± 0.0018 Å
• c: 14.968 ± 0.003 Å
• α: 74.64 ± 0.03°
• β: 81.57 ± 0.03°
• γ: 77 ± 0.03°
• Cell volume: 679.3 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No