Information card for entry 7243339

Structure parameters

• Formula: C25.5 H17 B Cl N2 O2
• Calculated formula: C25.5 H18 B Cl N2 O2
• Title of publication: Two-photon excitable boron complex based on tridentate imidazo[1,5-a]pyridine ligand for heavy-atom-free mitochondria-targeted photodynamic therapy
• Authors of publication: Hoshi, Keita; Itaya, Masami; Tahara, Koki; Matsumoto, Airi; Tabata, Atsuhi; Nagamune, Hideaki; Yoshida, Yasushi; Hase, Eiji; Minamikawa, Takeo; Yasui, Takeshi; Katayama, Tetsuro; Furube, Akihiro; Minagawa, Keiji; Imada, Yasushi; Yagishita, Fumitoshi
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 42
• Pages of publication: 26403 - 26407
• a: 11.3434 ± 0.0003 Å
• b: 14.0488 ± 0.0004 Å
• c: 13.7721 ± 0.0004 Å
• α: 90°
• β: 107.982 ± 0.008°
• γ: 90°
• Cell volume: 2087.53 ± 0.14 ų
• Cell temperature: 94 K
• Ambient diffraction temperature: 94 K
• Number of distinct elements: 6
• 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: 0.0919
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No