Information card for entry 2005325

Structure parameters

• Formula: C22 H13 Cl2 N3 O3
• Calculated formula: C22 H12 Cl2 N3 O4
• Title of publication: The Charge-Transfer Complex 4-(2-Hydroxyethyl)carbazole‒2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (1/1) (HEK‒DDQ)
• Authors of publication: Qi, F.; Yu, W.-T.; Hong, L.; Lin, X.-Y.; Yu, Z.-P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2274 - 2277
• a: 8.785 ± 0.004 Å
• b: 15.306 ± 0.007 Å
• c: 14.573 ± 0.003 Å
• α: 90°
• β: 97 ± 0.03°
• γ: 90°
• Cell volume: 1944.9 ± 1.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.588
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No