Information card for entry 7236776

Structure parameters

• Chemical name: bis(borondifluoride) complex of (2Z,4Z)- 3,4-dihydroxy-1,6-bis(4-(tetradecyloxy)phenyl)hexa-2,4-diene-1,6-dione
• Formula: C46 H68 B2 F4 O6
• Calculated formula: C46 H68 B2 F4 O6
• Title of publication: Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates
• Authors of publication: Chen, Ya-Wen; Lin, Yen-Chun; Kuo, Hsiu-Ming; Lai, Chung K.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 5465
• a: 7.1844 ± 0.0002 Å
• b: 8.0944 ± 0.0002 Å
• c: 20.2275 ± 0.0004 Å
• α: 94.3001 ± 0.0006°
• β: 98.6972 ± 0.0006°
• γ: 102.674 ± 0.0006°
• Cell volume: 1127.28 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No