Crystallography Open Database

Information card for entry 7240807

Preview

Coordinates	7240807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H35 Cl2 N4 O2.5
Calculated formula	C22 H35 Cl2 N4 O2.5
Title of publication	Pseudopeptidic macrocycles as cooperative minimalistic synzyme systems for the remarkable activation and conversion of CO2 in the presence of the chloride anion
Authors of publication	Esteve, Ferran; Altava, Belén; Burguete, M. Isabel; Bolte, Michael; García-Verdugo, Eduardo; Luis, Santiago V.
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	14
Pages of publication	4697 - 4705
a	11.2054 ± 0.0001 Å
b	11.2054 ± 0.0001 Å
c	83.0175 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10423.8 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257613 (current)	2020-10-06	cif/ Updating files of 7240807 Original log message: Adding full bibliography for 7240807.cif.	7240807.cif
255028	2020-08-06	cif/ Updating files of 7240807 Original log message: Adding full bibliography for 7240807.cif.	7240807.cif
253598	2020-07-01	cif/ Adding structures of 7240807 via cif-deposit CGI script.	7240807.cif