Information card for entry 7129843

Structure parameters

• Formula: C33 H26 B N S3
• Calculated formula: C33 H26 B N S3
• Title of publication: Photochromic dithienylethene-containing four-coordinate boron(iii) compounds with a spirocyclic scaffold
• Authors of publication: Fung, Tony Ho-Ching; Wong, Cheok-Lam; Tang, Wai-Kit; Leung, Ming-Yi; Low, Kam-Hung; Yam, Vivian Wing-Wah
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.534 ± 0.012 Å
• b: 17.556 ± 0.018 Å
• c: 12.832 ± 0.011 Å
• α: 90°
• β: 102.25 ± 0.02°
• γ: 90°
• Cell volume: 2759 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0938
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No