Information card for entry 4124327

Structure parameters

• Formula: C76 H32 B2 F30 N4 O4
• Calculated formula: C76 H32 B2 F30 N4 O4
• Title of publication: Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.
• Authors of publication: Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 30
• Pages of publication: 9519 - 9522
• a: 11.374 ± 0.002 Å
• b: 20.799 ± 0.004 Å
• c: 14.4 ± 0.003 Å
• α: 90°
• β: 99.032 ± 0.003°
• γ: 90°
• Cell volume: 3364.3 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No