Information card for entry 7110317

Structure parameters

• Formula: C6 H6 N O3
• Calculated formula: C9 H9 O3.527
• Title of publication: Spatiotemporal defined release of nitric oxide
• Authors of publication: Arulsamy, Navamoney; Bohle, D. Scott; Butikofer, Jeffrey L.; Stephens, Peter W.; Yee, Gordon T.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1856 - 1857
• a: 16.54 ± 0.006 Å
• b: 16.54 ± 0.006 Å
• c: 5.432 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1286.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No