Crystallography Open Database

Information card for entry 1570241

Preview

Coordinates	1570241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 O4
Calculated formula	C32 H28 O4
Title of publication	Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.
Authors of publication	Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	45
Pages of publication	13254 - 13264
a	9.1808 ± 0.0005 Å
b	10.1345 ± 0.0005 Å
c	13.7708 ± 0.0007 Å
α	80.343 ± 0.001°
β	75.323 ± 0.001°
γ	71.008 ± 0.001°
Cell volume	1166.89 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288083 (current)	2023-12-06	cif/ Updating files of 1570241, 1570242 Original log message: Adding full bibliography for 1570241--1570242.cif.	1570241.cif
287261	2023-11-05	cif/ Adding structures of 1570241, 1570242 via cif-deposit CGI script.	1570241.cif