Crystallography Open Database

Information card for entry 7240293

Preview

Coordinates	7240293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Br N O4
Calculated formula	C18 H20 Br N O4
Title of publication	About the selectivity and reactivity of active nickel electrodes in C‒C coupling reactions
Authors of publication	Beil, Sebastian B.; Breiner, Manuel; Schulz, Lara; Schüll, Aaron; Müller, Timo; Schollmeyer, Dieter; Bomm, Alexander; Holtkamp, Michael; Karst, Uwe; Schade, Wolfgang; Waldvogel, Siegfried R.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	24
Pages of publication	14249 - 14253
a	29.725 ± 0.0014 Å
b	7.9068 ± 0.0003 Å
c	15.6809 ± 0.0009 Å
α	90°
β	108.574 ± 0.004°
γ	90°
Cell volume	3493.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
257962 (current)	2020-10-06	cif/ Updating files of 7240293 Original log message: Adding full bibliography for 7240293.cif.	7240293.cif
250533	2020-04-09	cif/ Adding structures of 7240293 via cif-deposit CGI script.	7240293.cif