Information card for entry 7213142

Structure parameters

• Formula: C8 H14 N8 O4
• Calculated formula: C8 H14 N8 O4
• SMILES: n1nn[nH]c1c1ccccc1c1nnn[nH]1.O.O.O.O
• Title of publication: Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles
• Authors of publication: Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 3507
• a: 7.265 ± 0.0006 Å
• b: 12.408 ± 0.002 Å
• c: 14.529 ± 0.002 Å
• α: 90°
• β: 96.35 ± 0.013°
• γ: 90°
• Cell volume: 1301.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.1836
• Weighted residual factors for significantly intense reflections: 0.1489
• Goodness-of-fit parameter for all reflections: 1.244
• Goodness-of-fit parameter for significantly intense reflections: 1.391
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No