Information card for entry 7150314

Structure parameters

• Formula: C78 H46 Br12 Cl2 N6
• Calculated formula: C78 H46 Br12 Cl2 N6
• Title of publication: Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.
• Authors of publication: Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 175 - 182
• a: 13.179 ± 0.005 Å
• b: 13.971 ± 0.007 Å
• c: 20.762 ± 0.009 Å
• α: 78.6 ± 0.03°
• β: 79.29 ± 0.03°
• γ: 80.08 ± 0.03°
• Cell volume: 3645 ± 3 ų
• Cell temperature: 294 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No