Information card for entry 7109422

Structure parameters

• Formula: C36 H34 O2
• Calculated formula: C36 H34 O2
• SMILES: c1c2c(/C=C/c3ccc(cc3)OCCC)c3ccccc3c(c2ccc1)/C=C/c1ccc(OCCC)cc1
• 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: 5.4312 ± 0.0011 Å
• b: 8.8724 ± 0.0018 Å
• c: 15.066 ± 0.003 Å
• α: 102.61 ± 0.03°
• β: 98.34 ± 0.03°
• γ: 101.81 ± 0.03°
• Cell volume: 679.7 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No