Information card for entry 7109421

Structure parameters

• Formula: C36 H34 N0 O2
• Calculated formula: C36 H34 O2
• SMILES: c1(c(/C=C/c2c3c(c(c4c2cccc4)/C=C/c2c(cccc2)OCCC)cccc3)cccc1)OCCC
• 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: 5.105 ± 0.012 Å
• b: 8.65 ± 0.02 Å
• c: 15.66 ± 0.04 Å
• α: 85.57 ± 0.03°
• β: 82.78 ± 0.03°
• γ: 85.67 ± 0.03°
• Cell volume: 682 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No