Information card for entry 1519073

Structure parameters

• Formula: C36 H26 Cl4 N4 O6
• Calculated formula: C42 Cl4 N4 O
• Title of publication: Crystal Structure of Three Compounds Related to Triphenylene and Tetracyanoquinodimethane
• Authors of publication: Andresen, Thomas L.; Krebs, Frederik C.; Larsen, Mogens; Thorup, Niels
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 410 - 416
• a: 12.282 ± 0.002 Å
• b: 12.994 ± 0.003 Å
• c: 13.702 ± 0.003 Å
• α: 70.72 ± 0.03°
• β: 83.73 ± 0.03°
• γ: 66.06 ± 0.03°
• Cell volume: 1885.7 ± 0.9 ų
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1761
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No