Crystallography Open Database

Information card for entry 4326063

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Coordinates	4326063.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Me2adb
Chemical name	9,10 bis(p-(4-methoxycarbonyl)phenyl)anthracene
Formula	C30 H22 O4
Calculated formula	C30 H22 O4
SMILES	C(=O)(OC)c1ccc(c2c3c(c(c4c2cccc4)c2ccc(C(=O)OC)cc2)cccc3)cc1
Title of publication	Flexible and Hydrophobic Zn-Based Metal-Organic Framework
Authors of publication	Ines Maria Hauptvogel; Ralf Biedermann; Nicole Klein; Irena Senkovska; Amandine Cadiau; Dirk Wallacher; Ralf Feyerherm; Stefan Kaskel
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	8367 - 8374
a	9.3858 ± 0.0017 Å
b	15.6894 ± 0.0016 Å
c	7.5523 ± 0.0011 Å
α	90°
β	93.544 ± 0.013°
γ	90°
Cell volume	1110 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179363 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/60.	4326063.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326063.cif
47104	2012-03-22	../uploads/cif-deposit/cod/cif Adding structures of 4326063 via cif-deposit CGI script.	4326063.cif