Crystallography Open Database

Information card for entry 7232145

Preview

Coordinates	7232145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H31.5 N3 O2
Calculated formula	C19.5 H31.5 N3 O2
Title of publication	Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts
Authors of publication	Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	3
Pages of publication	640
a	14.6071 ± 0.0002 Å
b	41.9109 ± 0.0007 Å
c	14.5422 ± 0.0002 Å
α	90°
β	117.159 ± 0.001°
γ	90°
Cell volume	7921.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0577
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224637 (current)	2019-11-08	cif/ Updating files of 7232134, 7232135, 7232136, 7232137, 7232138, 7232139, 7232140, 7232141, 7232142, 7232143, 7232144, 7232145, 7232146 Original log message: Adding full bibliography for 7232134--7232146.cif.	7232145.cif
212973	2019-01-11	cif/ Adding structures of 7232134, 7232135, 7232136, 7232137, 7232138, 7232139, 7232140, 7232141, 7232142, 7232143, 7232144, 7232145, 7232146 via cif-deposit CGI script.	7232145.cif