Information card for entry 7027434

Structure parameters

• Formula: C21 H27 N O10 V
• Calculated formula: C21 H27 N O10 V
• SMILES: [V]123(O[C@@H]4[C@H](O[C@@H]([C@@H](OC)[C@@H]4[OH]1)COC)OC)(=O)OC(=O)C[N]3=Cc1ccccc1O2.c1ccccc1
• Title of publication: Sugar vanadates: synthesis and characterisation of mannopyranoside and ribofuranoside esters incorporating VO3+
• Authors of publication: Rajak, Kajal Krishna; Rath, Sankar Prasad; Mondal, Sujit; Chakravorty, Animesh
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2537
• a: 9.789 ± 0.003 Å
• b: 18.534 ± 0.005 Å
• c: 13.689 ± 0.004 Å
• α: 90°
• β: 91.64 ± 0.02°
• γ: 90°
• Cell volume: 2482.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections: 0.1637
• Weighted residual factors for significantly intense reflections: 0.1396
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No