Information card for entry 7119859

Structure parameters

• Formula: C48 H76 B2 Cl F4 N5 O4
• Calculated formula: C48 H76 B2 Cl F4 N5 O4
• SMILES: [Cl-].F[B]1(OC(=CC(=[O]1)c1[nH]c(cc1C)C)c1[nH]c(cc1C)C)F.O1C(=CC(=[O][B]1(F)F)c1[nH]c(cc1C)C)c1[nH]c(cc1C)C.[N+](CCC)(CCC)(CCC)CCC.CCCCCC
• Title of publication: Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.
• Authors of publication: Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 3834 - 3837
• a: 11.592 ± 0.004 Å
• b: 29.363 ± 0.009 Å
• c: 15.588 ± 0.005 Å
• α: 90°
• β: 104.696 ± 0.005°
• γ: 90°
• Cell volume: 5132 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2918
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No