Information card for entry 7219827

Structure parameters

• Formula: C13 H18 O7
• Calculated formula: C13 H18 O7
• SMILES: [C@@H]1([C@H]([C@@H]([C@@H](Oc2ccc(cc2)OC)O[C@H]1CO)O)O)O
• 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: 4.8576 ± 0.0006 Å
• b: 9.2069 ± 0.0012 Å
• c: 14.7648 ± 0.0019 Å
• α: 90°
• β: 95.696 ± 0.008°
• γ: 90°
• Cell volume: 657.07 ± 0.15 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: 0.0578
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.367
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No