Information card for entry 2001927

Structure parameters

• Formula: C7 H12 N2 O2
• Calculated formula: C7 H12 N2 O2
• SMILES: O/N=C/1CCCCC\C1=N/O
• Title of publication: Structures of three alicyclic α-dioximes with a ring size of six to eight
• Authors of publication: Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 635 - 639
• a: 8.69 ± 0.001 Å
• b: 12.134 ± 0.003 Å
• c: 16.267 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.3 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 2.43
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No