Information card for entry 1557555

Structure parameters

• Common name: c-4-Hydroxy-r-1-trinitromethyl-1,4-dihydrodibenzofuran
• Formula: C13 H9 N3 O8
• Calculated formula: C13 N3 O8
• Title of publication: Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran
• Authors of publication: Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 587 - 595
• a: 9.386 ± 0.004 Å
• b: 10.914 ± 0.004 Å
• c: 26.294 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693.5 ± 1.8 ų
• Ambient diffraction temperature: 166 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No