Crystallography Open Database

Information card for entry 4510604

Preview

Coordinates	4510604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H38 Cl2 N2 O4
Calculated formula	C33 H38 Cl2 N2 O4
Title of publication	Growth and alignment of thin film organic single crystals from dewetting patterns.
Authors of publication	Tisserant, Jean-Nicolas; Wicht, Gaëtan; Göbel, Ole F; Bocek, Eva; Bona, Gian-Luca; Geiger, Thomas; Hany, Roland; Mezzenga, Raffaele; Partel, Stefan; Schmid, Peter; Schweizer, Wolfhard Bernd; Heier, Jakob
Journal of publication	ACS nano
Year of publication	2013
Journal volume	7
Journal issue	6
Pages of publication	5506 - 5513
a	23.9162 ± 0.0007 Å
b	16.8152 ± 0.0006 Å
c	15.658 ± 0.0006 Å
α	90°
β	92.811 ± 0.001°
γ	90°
Cell volume	6289.4 ± 0.4 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	0.106
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.2259
Goodness-of-fit parameter for all reflections included in the refinement	1.466
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
179653 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06.	4510604.cif
113079	2014-05-08	cif/ Adding structures of 4510604 via cif-deposit CGI script.	4510604.cif