Crystallography Open Database

Information card for entry 1568385

Preview

Coordinates	1568385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 F N2 O4
Calculated formula	C24 H21 F N2 O4
Title of publication	Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates
Authors of publication	Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2461 - 2466
a	8.8055 ± 0.0007 Å
b	11.8006 ± 0.0009 Å
c	19.3349 ± 0.0015 Å
α	90°
β	91.749 ± 0.004°
γ	90°
Cell volume	2008.2 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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	0.0676
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281392 (current)	2023-03-04	cif/ Updating files of 1568385 Original log message: Adding full bibliography for 1568385.cif.	1568385.cif
280773	2023-02-03	cif/ Adding structures of 1568385 via cif-deposit CGI script.	1568385.cif