Information card for entry 7123678

Structure parameters

• Formula: C88 H90 B2 Cl5 F4 N5 O4
• Calculated formula: C88 H90 B2 Cl5 F4 N5 O4
• Title of publication: Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties
• Authors of publication: Sugiura, Shinya; Kobayashi, Yoichi; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.3755 ± 0.0004 Å
• b: 14.9439 ± 0.0005 Å
• c: 21.2804 ± 0.0007 Å
• α: 74.334 ± 0.002°
• β: 78.71 ± 0.002°
• γ: 78.821 ± 0.002°
• Cell volume: 3971.3 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.1293
• Weighted residual factors for significantly intense reflections: 0.3632
• Weighted residual factors for all reflections included in the refinement: 0.3973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.491
• Diffraction radiation wavelength: 0.81128 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No