Information card for entry 1570793

Structure parameters

• Formula: C85 H94 B N5
• Calculated formula: C85 H94 B N5
• Title of publication: Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring.
• Authors of publication: Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 3148 - 3154
• a: 13.9175 ± 0.0004 Å
• b: 14.8192 ± 0.0004 Å
• c: 19.2412 ± 0.0005 Å
• α: 89.702 ± 0.002°
• β: 77.628 ± 0.002°
• γ: 79.792 ± 0.002°
• Cell volume: 3812.69 ± 0.18 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No