Information card for entry 7247791

Structure parameters

• Formula: C15 H12 O2
• Calculated formula: C15 H12 O2
• Title of publication: Insight into polymorphism in weakly polar systems using favorable connection motifs
• Authors of publication: Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 2
• Pages of publication: 153 - 159
• a: 12.5547 ± 0.0008 Å
• b: 11.7675 ± 0.0006 Å
• c: 7.7848 ± 0.0006 Å
• α: 90°
• β: 103.444 ± 0.007°
• γ: 90°
• Cell volume: 1118.59 ± 0.13 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0607
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No