Information card for entry 7059902

Structure parameters

• Formula: C24 H28 O8
• Calculated formula: C24 H28 O8
• Title of publication: On the planarity of the cyclobutane ring in the crystal of dimethyl 2,4-bis(3,4-dimethoxyphenyl)cyclobutane-1,3-dicarboxylate: a natural bond orbital and Hirshfeld surface analysis study
• Authors of publication: Shabir, Ghulam; Saeed, Aamer; Qasim, Muhammad; Bolte, Michael; Hökelek, Tuncer; Erben, Mauricio Federico
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15515 - 15525
• a: 14.2917 ± 0.0015 Å
• b: 5.5579 ± 0.0006 Å
• c: 14.5639 ± 0.0014 Å
• α: 90°
• β: 111.471 ± 0.007°
• γ: 90°
• Cell volume: 1076.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No