Information card for entry 4085686

Structure parameters

• Common name: methyl 2-azido-4,6-O-benzylidene-2-deoxy-alpha-D-idopyranoside
• Chemical name: (2S,3S,4S,5S,6R,9S)-3-azido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-4,5-diol benzaldehyde 5,7-acetal
• Formula: C14 H17 N3 O5
• Calculated formula: C14 H17 N3 O5
• SMILES: O([C@H]1O[C@H]2[C@H](O[C@H](OC2)c2ccccc2)[C@@H](O)[C@@H]1N=N#N)C
• Title of publication: Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes
• Authors of publication: Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1507
• a: 4.8575 ± 0.001 Å
• b: 12.347 ± 0.002 Å
• c: 23.777 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1426 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No