Crystallography Open Database

Information card for entry 4111193

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Structure parameters

Formula	C19 H18 O2
Calculated formula	C19 H18 O2
SMILES	c1cccc2c(c3ccccc3cc12)C(=O)OC(C)(C)C
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	9.1676 ± 0.0002 Å
b	17.2652 ± 0.0004 Å
c	9.5031 ± 0.0002 Å
α	90°
β	99.498 ± 0.001°
γ	90°
Cell volume	1483.54 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4111193.cif
178882	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.	4111193.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111193.cif
60718	2012-06-18	cif/ Adding structures of 4111193 via cif-deposit CGI script.	4111193.cif