Information card for entry 4513034

Structure parameters

• Formula: C24 H16 O2
• Calculated formula: C24 H16 O2
• SMILES: O1c2ccccc2c2c(C1)ccc1c2ccc2c1c1ccccc1OC2
• Title of publication: Nonplanar Ladder-Type Polycyclic Conjugated Molecules: Structures and Solid-State Properties
• Authors of publication: Liu, Kuojin; Qiu, Feng; Yang, Chongqing; Tang, Ruizhi; Fu, Yubin; Han, Sheng; Zhuang, Xiaodong; Mai, Yiyong; Zhang, Fan; Feng, Xinliang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3332
• a: 12.1614 ± 0.0016 Å
• b: 8.1562 ± 0.0011 Å
• c: 16.023 ± 0.002 Å
• α: 90°
• β: 97.417 ± 0.002°
• γ: 90°
• Cell volume: 1576 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No