Information card for entry 2003330

Structure parameters

• Formula: C9 H11 N3 O6
• Calculated formula: C9 H11 N3 O6
• Title of publication: 3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~
• Authors of publication: George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 703 - 706
• a: 7.169 ± 0.001 Å
• b: 10.875 ± 0.001 Å
• c: 13.842 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.2 ± 0.2 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No