Crystallography Open Database

Information card for entry 1507660

Preview

Coordinates	1507660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cl2 N2 O6
Calculated formula	C22 H24 Cl2 N2 O6
SMILES	ClCCl.O=N(=O)c1cc2c(cc1O)C1(c3cc(O)c(N(=O)=O)cc3C(C)(C)C1)CC2(C)C
Title of publication	Synthesis and Gas Transport Properties of Hydroxyl-Functionalized Polyimides with Intrinsic Microporosity
Authors of publication	Ma, Xiaohua; Swaidan, Raja; Belmabkhout, Youssef; Zhu, Yihan; Litwiller, Eric; Jouiad, Mustapha; Pinnau, Ingo; Han, Yu
Journal of publication	Macromolecules
Year of publication	2012
Journal volume	45
Journal issue	9
Pages of publication	3841
a	10.7706 ± 0.001 Å
b	10.9426 ± 0.0008 Å
c	11.4633 ± 0.0007 Å
α	67.709 ± 0.006°
β	72.198 ± 0.007°
γ	65.797 ± 0.008°
Cell volume	1121.99 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176729 (current)	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.	1507660.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507660.cif
59763	2012-06-13	cif/ Adding structures of 1507660 via cif-deposit CGI script.	1507660.cif