Crystallography Open Database

Information card for entry 7151334

Preview

Coordinates	7151334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H58 Cl6 N8 Ni2 O2
Calculated formula	C91 H58 Cl6 N8 Ni2 O2
Title of publication	Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement
Authors of publication	Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2006
Journal volume	4
Journal issue	22
Pages of publication	4059
a	18.111 ± 0.004 Å
b	14.986 ± 0.004 Å
c	27.852 ± 0.006 Å
α	90°
β	102.635 ± 0.005°
γ	90°
Cell volume	7376 ± 3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1465
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.2276
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180299 (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 7/15/13.	7151334.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151334.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151334.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151334.cif