Crystallography Open Database

Information card for entry 7133811

Preview

Coordinates	7133811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl N5 O2
Calculated formula	C24 H22 Cl N5 O2
Title of publication	Modulating the photolysis of aryl azides in a supramolecular host to develop photoactivatable fluorophores.
Authors of publication	Qiu, Xujun; Pohl, Eric; Jung, André; Cai, Qianyu; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	88
Pages of publication	12856 - 12859
a	16.3613 ± 0.0004 Å
b	6.8967 ± 0.0001 Å
c	19.5442 ± 0.0005 Å
α	90°
β	103.785 ± 0.002°
γ	90°
Cell volume	2141.83 ± 0.08 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296280 (current)	2024-12-06	cif/ Updating files of 7133811, 7133812 Original log message: Adding full bibliography for 7133811--7133812.cif.	7133811.cif
295019	2024-10-04	cif/ Adding structures of 7133811, 7133812 via cif-deposit CGI script.	7133811.cif