Crystallography Open Database

Information card for entry 7232134

Preview

Coordinates	7232134.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DBN-CO2
Formula	C8 H12 N2 O2
Calculated formula	C8 H12 N2 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	13.4813 ± 0.0004 Å
b	8.2397 ± 0.0003 Å
c	6.9346 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	770.31 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0459
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
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.	7232134.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.	7232134.cif