Crystallography Open Database

Information card for entry 7243339

Preview

Coordinates	7243339.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
267912 (current)	2021-08-03	cif/ Adding structures of 7243339 via cif-deposit CGI script.	7243339.cif