Information card for entry 7248190

Structure parameters

• Formula: C10 H12 O5
• Calculated formula: C10 H12 O5
• Title of publication: Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns
• Authors of publication: Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 1952 - 1961
• a: 10.7437 ± 0.0012 Å
• b: 6.9554 ± 0.0007 Å
• c: 12.3782 ± 0.0014 Å
• α: 90°
• β: 92.629 ± 0.004°
• γ: 90°
• Cell volume: 924.01 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.03 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: 0.0365
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No