Crystallography Open Database

Information card for entry 7200851

7200850 << 7200851 >> 7200852

Preview

Coordinates	7200851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H28 N2 O8
Calculated formula	C41 H28 N2 O8
SMILES	n1c2ccccc2nc2c1cccc2.O=C(c1ccc(C(c2ccc(cc2)C(=O)O)(c2ccc(cc2)C(=O)O)c2ccc(cc2)C(=O)O)cc1)O
Title of publication	Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers
Authors of publication	Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	978
a	25.574 ± 0.005 Å
b	8.6352 ± 0.0017 Å
c	17.905 ± 0.004 Å
α	90°
β	122.61 ± 0.03°
γ	90°
Cell volume	3330.8 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0844
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.189
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
180339 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/08.	7200851.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200851.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200851.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200851.cif