Crystallography Open Database

Information card for entry 1505168

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Structure parameters

Formula	C31 H20 O4
Calculated formula	C31 H20 O4
SMILES	c1cccc2c1c(c1ccccc1c2)C(=O)OCOC(=O)c1c2ccccc2cc2ccccc12
Title of publication	Photopolymerization of Organic Molecular Crystal Nanorods
Authors of publication	Al-Kaysi, Rabih O.; Dillon, Robert J.; Kaiser, J. Michael; Mueller, Leonard J.; Guirado, Gonzalo; Bardeen, Christopher J.
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	25
Pages of publication	9040
a	13.8475 ± 0.0006 Å
b	16.2027 ± 0.0007 Å
c	19.3485 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4341.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505168.cif
176729	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.	1505168.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505168.cif
45388	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505168 via cif-deposit CGI script.	1505168.cif