Information card for entry 7217749

Structure parameters

• Formula: C24 H29 N O13
• Calculated formula: C24 H29 N O13
• SMILES: [C@H]1([C@H]([C@@H]([C@H]([C@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)C[C@H](c1ccccc1N(=O)=O)O
• Title of publication: Exploration, synthesis and studies of gel forming simple sugar-chalcone derivatives
• Authors of publication: Hemamalini, Arasappan; Mohan das, Thangamuthu
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 9.523 ± 0.005 Å
• b: 5.419 ± 0.005 Å
• c: 26.034 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.631 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1337 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No