Information card for entry 7122341

Structure parameters

• Common name: DAAQH2
• Chemical name: N,N?-Dimethyl-2,6-Diaza-9,10-Anthrahydroquinonediium
• Formula: C14 H14 Cl2 N2 O2
• Calculated formula: C14 H14 Cl2 N2 O2
• Title of publication: Hydrogen peroxide production via a redox reaction of N,N'-dimethyl-2,6-diaza-9,10-anthraquinonediium by addition of bisulfite.
• Authors of publication: Kolesnichenko, Igor V.; Escamilla, P. Rogelio; Michael, Jason A.; Lynch, Vincent M.; Vanden Bout, David A.; Anslyn, Eric V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 79
• Pages of publication: 11204 - 11207
• a: 4.4516 ± 0.001 Å
• b: 6.7274 ± 0.0016 Å
• c: 11.4945 ± 0.0018 Å
• α: 86.957 ± 0.009°
• β: 83.772 ± 0.008°
• γ: 77.68 ± 0.011°
• Cell volume: 334.16 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No