Information card for entry 7219828

Structure parameters

• Formula: C16 H22 O7
• Calculated formula: C16 H22 O7
• SMILES: O(c1ccc(O[C@@H]2O[C@H](CO)[C@@H]3OC(O[C@@H]3[C@H]2O)(C)C)cc1)C
• Title of publication: A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives
• Authors of publication: Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 3345
• a: 9.292 ± 0.005 Å
• b: 7.698 ± 0.003 Å
• c: 12.322 ± 0.005 Å
• α: 90°
• β: 111.34 ± 0.03°
• γ: 90°
• Cell volume: 821 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No