Information card for entry 7121477

Structure parameters

• Formula: C23 H22 O8
• Calculated formula: C23 H22 O8
• Title of publication: Model molecules to classify CHO hydrogen-bonds.
• Authors of publication: Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 4629 - 4632
• a: 6.5124 ± 0.0003 Å
• b: 15.0561 ± 0.0007 Å
• c: 20.2887 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1989.33 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No