Information card for entry 7206965

Structure parameters

• Formula: C19 H23.5 O10.5
• Calculated formula: C19 H23.5 O10.5
• Title of publication: Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns
• Authors of publication: Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 138
• a: 11.3769 ± 0.0005 Å
• b: 8.3198 ± 0.0004 Å
• c: 21.4511 ± 0.001 Å
• α: 90°
• β: 98.021 ± 0.003°
• γ: 90°
• Cell volume: 2010.56 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No