Information card for entry 7125558

Structure parameters

• Formula: C26 H24 Cl4 N6 O5
• Calculated formula: C26 H24 Cl4 N6 O5
• Title of publication: Trapping of benzene oxide-oxepin and methyl-substituted derivatives with 4-phenyl- and 4-pentafluorophenyl-1,2,4-triazoline-3,5-dione.
• Authors of publication: Henderson, Alistair P.; Mutlu, Esra; Leclercq, Amélie; Bleasdale, Christine; Clegg, William; Henderson, Richard A.; Golding, Bernard T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1956 - 1957
• a: 9.1142 ± 0.0008 Å
• b: 9.5955 ± 0.0009 Å
• c: 17.0216 ± 0.0015 Å
• α: 85.792 ± 0.002°
• β: 78.365 ± 0.002°
• γ: 74.561 ± 0.002°
• Cell volume: 1405.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No