Information card for entry 8105560

Structure parameters

• Formula: C26 H20 O6
• Calculated formula: C26 H20 O6
• SMILES: O=C(OC)c1cc(C(=O)OC)cc(c2c3c(c(c4c2cccc4)C(=O)OC)cccc3)c1
• Title of publication: Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6
• Authors of publication: Huang, Xiang; Shi, Da-Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 115 - 117
• a: 14.458 ± 0.002 Å
• b: 9.4176 ± 0.0018 Å
• c: 16.914 ± 0.003 Å
• α: 90°
• β: 113.429 ± 0.005°
• γ: 90°
• Cell volume: 2113.1 ± 0.6 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: 0.1507
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No