Crystallography Open Database

Information card for entry 7047178

Preview

Coordinates	7047178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 B Co N3 O3
Calculated formula	C28 H36 B Co N3 O3
Title of publication	Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.
Authors of publication	Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	35
Pages of publication	12147 - 12161
a	14.3233 ± 0.0007 Å
b	13.3449 ± 0.0006 Å
c	15.9647 ± 0.0007 Å
α	90°
β	114.139 ± 0.001°
γ	90°
Cell volume	2784.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0436
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
229941 (current)	2019-11-17	cif/ Updating files of 7047177, 7047178, 7047179, 7047180, 7047181, 7047182, 7047183, 7047184, 7047185, 7047186, 7047187 Original log message: Adding full bibliography for 7047177--7047187.cif.	7047178.cif
209305	2018-07-31	cif/ Adding structures of 7047177, 7047178, 7047179, 7047180, 7047181, 7047182, 7047183, 7047184, 7047185, 7047186, 7047187 via cif-deposit CGI script.	7047178.cif