Crystallography Open Database

Information card for entry 1503107

Preview

Coordinates	1503107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H36 F2 N2 O5
Calculated formula	C56 H32 F2 N2 O5
Title of publication	Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.
Authors of publication	Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	17
Pages of publication	3756 - 3759
a	37.353 ± 0.006 Å
b	15.704 ± 0.002 Å
c	7.5165 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4409.1 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54248 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503107.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503107.cif
37017	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503105, 1503106, 1503107, 1503108, 1503109 via cif-deposit CGI script.	1503107.cif