Information card for entry 7121481

Structure parameters

• Formula: C21 H16 O8
• Calculated formula: C21 H16 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: 9.1816 ± 0.0004 Å
• b: 13.2228 ± 0.0006 Å
• c: 14.5348 ± 0.0006 Å
• α: 88.475 ± 0.002°
• β: 87.657 ± 0.002°
• γ: 88.007 ± 0.002°
• Cell volume: 1761.52 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No