Information card for entry 7201467

Structure parameters

• Common name: cmc0545a
• Formula: C19 H44 B9 N
• Calculated formula: C19 H44 B9 N
• SMILES: CCCCCC[B]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[C]491[N+]12CCC(CC1)(CC2)CCCCC
• Title of publication: Polar derivatives of the [closo-1-CB9H10]− cluster as positive Δε additives to nematic hosts
• Authors of publication: Ringstrand, Bryan; Kaszynski, Piotr; Januszko, Adam; Young, Victor G.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 48
• Pages of publication: 9204
• a: 9.766 ± 0.002 Å
• b: 10.481 ± 0.003 Å
• c: 12.098 ± 0.003 Å
• α: 93.804 ± 0.009°
• β: 90.249 ± 0.01°
• γ: 102.587 ± 0.01°
• Cell volume: 1205.7 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.49595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No