Crystallography Open Database

Information card for entry 7151778

Preview

Coordinates	7151778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H29 N5
Calculated formula	C43.006 H29.006 N4.994
Title of publication	Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.
Authors of publication	Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	7
Pages of publication	2306 - 2313
a	6.334 ± 0.002 Å
b	10.352 ± 0.003 Å
c	12.149 ± 0.004 Å
α	94.288 ± 0.005°
β	99.895 ± 0.005°
γ	101.107 ± 0.005°
Cell volume	765.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
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.	7151778.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151778.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151778.cif
21262	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151777, 7151778 via cif-deposit CGI script.	7151778.cif