Information card for entry 7135427

Structure parameters

• Chemical name: yi240709-nkmr3
• Formula: C33 H24 B Cl2 F4 N O
• Calculated formula: C33 H24 B Cl2 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: 24.5693 ± 0.0006 Å
• b: 8.47276 ± 0.00018 Å
• c: 26.6677 ± 0.0006 Å
• α: 90°
• β: 93.9884 ± 0.0019°
• γ: 90°
• Cell volume: 5538 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No