Crystallography Open Database

Information card for entry 7151781

Preview

Coordinates	7151781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Br2 N4 O6
Calculated formula	C11.56 H15.15 Br0.8 N1.66 O2.52
Title of publication	Synthesis of tri-substituted biaryl based trianglimines: formation of C3-symmetrical and non-symmetrical regioisomers.
Authors of publication	Nour, Hany F.; Matei, Marius F.; Bassil, Bassem S.; Kortz, Ulrich; Kuhnert, Nikolai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	9
Pages of publication	3258 - 3271
a	7.8543 ± 0.0006 Å
b	9.3193 ± 0.0007 Å
c	10.5343 ± 0.0006 Å
α	95.589 ± 0.004°
β	110.786 ± 0.002°
γ	95.62 ± 0.004°
Cell volume	710.15 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
180303 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17.	7151781.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151781.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151781.cif
21265	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151781 via cif-deposit CGI script.	7151781.cif