Crystallography Open Database

Information card for entry 4111194

Preview

Coordinates	4111194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H38.24 Cl1.76 O4.12
Calculated formula	C38.9999 H38.2416 Cl1.758 O4.1209
Title of publication	Photochemically Driven Shape Changes of Crystalline Organic Nanorods
Authors of publication	Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15938 - 15939
a	39.156 ± 0.001 Å
b	14.1598 ± 0.0004 Å
c	11.7448 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6511.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111194.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111194.cif
60719	2012-06-18	cif/ Adding structures of 4111194 via cif-deposit CGI script.	4111194.cif