Crystallography Open Database

Information card for entry 4124557

Preview

Coordinates	4124557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H32 Cl3 Co N4 O3
Calculated formula	C47.506 H29.418 Cl3.001 Co N4 O1.5
Title of publication	Compartmentalization of Incompatible Catalytic Transformations for Tandem Catalysis.
Authors of publication	Lu, Jie; Dimroth, Jonas; Weck, Marcus
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	40
Pages of publication	12984 - 12989
a	9.1603 ± 0.0018 Å
b	13.911 ± 0.003 Å
c	16 ± 0.003 Å
α	78.661 ± 0.003°
β	85.431 ± 0.003°
γ	78.731 ± 0.003°
Cell volume	1958.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1334
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.257
Weighted residual factors for all reflections included in the refinement	0.2935
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
170081 (current)	2015-11-06	cif/ Updating files of 4124557 Original log message: Adding full bibliography for 4124557.cif.	4124557.cif
159543	2015-10-03	cif/ Adding structures of 4124557 via cif-deposit CGI script.	4124557.cif