Crystallography Open Database

Information card for entry 4027347

Preview

Coordinates	4027347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H33 N4 O2.5
Calculated formula	C44 H33 N4 O2.5
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	13.46 ± 0.003 Å
b	13.46 ± 0.003 Å
c	9.7678 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1769.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4027347.cif
81429	2013-04-15	cif/ Adding structures of 4027347 via cif-deposit CGI script.	4027347.cif