Information card for entry 2005600

Structure parameters

• Chemical name: 4-(N-benzoxy)imino-3,3-dihydro-2,2-dimethyl-6-nitro-2H-1-benzopyran
• Formula: C18 H16 N2 O5
• Calculated formula: C18 H16 N2 O5
• Title of publication: 2,2-Dimethyl-6-nitro-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>]pyran-4-one <i>O</i>-Benzoyloxime
• Authors of publication: Yang, Q.-C.; Li, H.-M.; Tang, Y.-Q.; Huang, W.-L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2920 - 2922
• a: 7.032 ± 0.001 Å
• b: 10.667 ± 0.002 Å
• c: 11.879 ± 0.002 Å
• α: 102.4 ± 0.03°
• β: 102.92 ± 0.03°
• γ: 95.16 ± 0.03°
• Cell volume: 839.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No