Information card for entry 1506844

Structure parameters

• Formula: C30 H26 O4
• Calculated formula: C30 H26 O4
• SMILES: O1c2c(c3c(OC1(C)C)ccc(c3)c1ccc3OC(Oc4c(c3c1)cccc4)(C)C)cccc2
• Title of publication: New Biphenyl Derivative with Planar Phenyl−Phenyl Conformation in Crystal at Room Temperature Exhibits Highly Efficient UV Light-Emitting
• Authors of publication: Zhang, Haiquan; Yang, Bing; Zheng, Yan; Yang, Guangdi; Ye, Ling; Ma, Yuguang; Chen, Xinfang; Cheng, Gang; Liu, Shiyong
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 28
• Pages of publication: 9571
• a: 13.2938 ± 0.0016 Å
• b: 7.32 ± 0.0017 Å
• c: 12.7067 ± 0.0011 Å
• α: 90°
• β: 103.61 ± 0.03°
• γ: 90°
• Cell volume: 1201.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No