Information card for entry 1505615

Structure parameters

• Formula: C24 H24 Cl4 N4 O
• Calculated formula: C24 H24 Cl4 N4 O
• SMILES: Clc1cc2N(C(N(c2cc1Cl)C)C(=O)N(C)c1cc(Cl)c(Cl)cc1NC)C.c1ccccc1
• Title of publication: Synthesis and study of differentially substituted dibenzotetraazafulvalenes.
• Authors of publication: Kamplain, Justin W.; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5401 - 5404
• a: 11.2612 ± 0.0002 Å
• b: 11.6629 ± 0.0003 Å
• c: 11.9967 ± 0.0003 Å
• α: 80.504 ± 0.002°
• β: 63.344 ± 0.002°
• γ: 63.165 ± 0.002°
• Cell volume: 1255.12 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No