Information card for entry 2227390

Structure parameters

• Chemical name: 4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide
• Formula: C11 H8 N6 O4 S
• Calculated formula: C11 H8 N6 O4 S
• SMILES: S(=O)(=O)(N=N#N)c1cc2c(cc(=O)oc2cc1C)CN=N#N
• Title of publication: 4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide
• Authors of publication: Basanagouda, Mahantesha; Nayak, Susanta K.; Guru Row, T. N.; Kulkarni, Manohar V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2780
• a: 13.5452 ± 0.0012 Å
• b: 27.952 ± 0.003 Å
• c: 14.1107 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5342.5 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes