Information card for entry 7116536

Structure parameters

• Formula: C38 H38 O2
• Calculated formula: C38 H38 O2
• SMILES: c1(ccccc1OCC(C)C)/C=C/c1c2ccccc2c(/C=C/c2ccccc2OCC(C)C)c2c1cccc2
• Title of publication: Regulating the piezofluorochromism of 9,10-bis(butoxystyryl)anthracenes by isomerization of butyl groups
• Authors of publication: Yao Xiong; Xilong Yan; Yawen Ma; Yang Li; Guohui Yin; Ligong Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3403
• a: 5.5707 ± 0.0005 Å
• b: 8.2832 ± 0.0009 Å
• c: 15.9643 ± 0.0015 Å
• α: 92.864 ± 0.008°
• β: 96.899 ± 0.007°
• γ: 93.15 ± 0.008°
• Cell volume: 729.02 ± 0.12 ų
• Cell temperature: 293.2 ± 0.1 K
• Ambient diffraction temperature: 293.2 ± 0.1 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: 0.0788
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No