Information card for entry 7135916

Structure parameters

• Formula: C30 H24 Br2 N2 O2
• Calculated formula: C30 H24 Br2 N2 O2
• Title of publication: 2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.
• Authors of publication: Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 38
• Pages of publication: 9725 - 9729
• a: 8.1489 ± 0.0003 Å
• b: 18.9495 ± 0.0007 Å
• c: 17.1033 ± 0.0006 Å
• α: 90°
• β: 90.103 ± 0.003°
• γ: 90°
• Cell volume: 2641.05 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No