Information card for entry 8106322

Structure parameters

• Formula: C22 H8 N6 O6
• Calculated formula: C22 H8 N6 O6
• Title of publication: Synthesis and crystal structure of 1,3-bis[(3,4-dicyano)phenoxy]-4,6-dinitro-benzene, C22H8N6O6
• Authors of publication: Aljuhani, Ateyatallah; Said, Musa A.; Hughes, David L.; Cammidge, Andrew N.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 853 - 855
• a: 15.3939 ± 0.0006 Å
• b: 7.3053 ± 0.0003 Å
• c: 16.8282 ± 0.0006 Å
• α: 90°
• β: 91.567 ± 0.003°
• γ: 90°
• Cell volume: 1891.74 ± 0.13 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No