Crystallography Open Database

Information card for entry 1574040

Preview

Coordinates	1574040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Cl N2 O3
Calculated formula	C20 H17 Cl N2 O3
Title of publication	Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.
Authors of publication	Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	13
Pages of publication	5701 - 5706
a	7.6916 ± 0.0004 Å
b	5.838 ± 0.0003 Å
c	40.645 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1825.11 ± 0.16 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298803 (current)	2025-04-05	cif/ Updating files of 1574039, 1574040, 1574041 Original log message: Adding full bibliography for 1574039--1574041.cif.	1574040.cif
297938	2025-03-02	cif/ Adding structures of 1574039, 1574040, 1574041 via cif-deposit CGI script.	1574040.cif