Information card for entry 7135426

Structure parameters

• Chemical name: yi241204-nkmr4
• Formula: C34 H26 B F4 N O
• Calculated formula: C34 H26 B F4 N O
• Title of publication: Nitrogen-centred helical acridiniums with a 6-7-6-6 fused ring skeleton.
• Authors of publication: Nakamura, Shuto; Kawaguchi, Soki; Nishimura, Yuta; Harimoto, Takashi; Hasegawa, Jun-Ya; Suzuki, Takanori; Ishigaki, Yusuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 14
• Pages of publication: 4268 - 4271
• a: 11.5153 ± 0.0003 Å
• b: 13.2614 ± 0.0003 Å
• c: 17.5945 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686.84 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No