Information card for entry 4085684

Structure parameters

• Common name: methyl 2,3-diazido-4,6-O-benzylidene-2,3-dideoxy-alpha-D-mannopyranoside
• Chemical name: (2S,3S,4R,5R,6R,9R)-3,4-diazido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-5-ol benzaldehyde 5,7-acetal
• Formula: C14 H16 N6 O4
• Calculated formula: C14 H16 N6 O4
• SMILES: O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@H](N=N#N)[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: 4.9655 ± 0.0007 Å
• b: 15.917 ± 0.002 Å
• c: 10.2142 ± 0.0014 Å
• α: 90°
• β: 102.764 ± 0.002°
• γ: 90°
• Cell volume: 787.34 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No