Information card for entry 7153512

Structure parameters

• Formula: C54 H82 Cl N3 O2
• Calculated formula: C54 H82 Cl N3 O2
• Title of publication: A new building block for anion supramolecular chemistry. Study of carbazolocarbazole as anion receptor.
• Authors of publication: Curiel, David; Más-Montoya, Miriam; Sánchez, Guzmán; Orenes, Raúl A; Molina, Pedro; Tárraga, Alberto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4811 - 4814
• a: 10.1884 ± 0.0012 Å
• b: 15.6187 ± 0.0018 Å
• c: 16.3086 ± 0.0019 Å
• α: 101.378 ± 0.002°
• β: 93.392 ± 0.002°
• γ: 95.643 ± 0.002°
• Cell volume: 2523.6 ± 0.5 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: 0.0664
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No