Crystallography Open Database

Information card for entry 4027345

Preview

Coordinates	4027345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H31 N5 O2 Zn
Calculated formula	C48 H31 N5 O2 Zn
Title of publication	meso-Arylporpholactones and their Reduction Products
Authors of publication	Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	6480 - 6494
a	14.863 ± 0.009 Å
b	17.01 ± 0.011 Å
c	14.667 ± 0.009 Å
α	90°
β	93.844 ± 0.01°
γ	90°
Cell volume	3700 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1308
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.2128
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4027345.cif
81427	2013-04-15	cif/ Adding structures of 4027345 via cif-deposit CGI script.	4027345.cif