Information card for entry 4320724

Structure parameters

• Common name: poitr
• Formula: C18 H46 B16
• Calculated formula: C18 H46 B16
• Title of publication: Carborane-Containing Liquid Crystals: Synthesis and Structural, Conformational, Thermal, and Spectroscopic Characterization of Diheptyl and Diheptynyl Derivatives of p-Carboranes
• Authors of publication: Piotr Kaszynski; Serhii Pakhomov; Kris F. Tesh; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6622 - 6631
• a: 11.646 ± 0.006 Å
• b: 12.026 ± 0.004 Å
• c: 10.736 ± 0.002 Å
• α: 94.88 ± 0.02°
• β: 95.72 ± 0.03°
• γ: 101.47 ± 0.01°
• Cell volume: 1457.8 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2546
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections: 0.5643
• Weighted residual factors for significantly intense reflections: 0.387
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No