Information card for entry 2100745

Structure parameters

• Formula: C4 H8 N6 O5
• Calculated formula: C4 H8 N6 O5
• Title of publication: The ordered and disordered phases of three unsymmetrical cyclic nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II), 1,3-dinitro-1,3-diazacycloheptane; (III), 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
• Authors of publication: Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 782 - 789
• a: 11.3 ± 0.01 Å
• b: 6.34 ± 0.01 Å
• c: 12.23 ± 0.01 Å
• α: 90°
• β: 102.4 ± 0.1°
• γ: 90°
• Cell volume: 855.7 ± 1.7 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No