Crystallography Open Database

Information card for entry 1557052

Preview

Coordinates	1557052.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	12CM007
Formula	C22 H28 N
Calculated formula	C22 H28 N
Title of publication	Singlet oxygen stimulus for switchable functional organic cages
Authors of publication	Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	6
Pages of publication	1478 - 1484
a	5.899 ± 0.002 Å
b	7.547 ± 0.003 Å
c	20.535 ± 0.008 Å
α	83.465 ± 0.009°
β	84.681 ± 0.01°
γ	82.512 ± 0.008°
Cell volume	897.7 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0942
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
257324 (current)	2020-10-06	cif/ Updating files of 1557052, 1557053 Original log message: Adding full bibliography for 1557052--1557053.cif.	1557052.cif
248887	2020-03-05	cif/ Updating files of 1557052, 1557053 Original log message: Adding full bibliography for 1557052--1557053.cif.	1557052.cif
246892	2020-01-16	cif/ Adding structures of 1557052, 1557053 via cif-deposit CGI script.	1557052.cif