Information card for entry 4320725

Structure parameters

• Common name: 97304
• Formula: C18 H38 B16
• Calculated formula: C18 H38 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: 9.4761 ± 0.0002 Å
• b: 10.4243 ± 0.0001 Å
• c: 16.1992 ± 0.0004 Å
• α: 78.516 ± 0.001°
• β: 88.105 ± 0.002°
• γ: 65.263 ± 0.001°
• Cell volume: 1421.98 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1324
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections: 0.208
• Weighted residual factors for significantly intense reflections: 0.1773
• Goodness-of-fit parameter for all reflections: 0.931
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No