Crystallography Open Database

Information card for entry 7113392

Preview

Coordinates	7113392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H60 Cl5 F18 N5 O15 S2
Calculated formula	C96.7 H55.8 Cl5 F17.4 N5 O14.9 S2
Title of publication	Principles of sequence-recognition in aromatic polyimides.
Authors of publication	Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Gan, Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	23
Pages of publication	2650 - 2652
a	10.9503 ± 0.0004 Å
b	17.684 ± 0.001 Å
c	23.9264 ± 0.0012 Å
α	104.52 ± 0.002°
β	96.031 ± 0.003°
γ	91.682 ± 0.003°
Cell volume	4453 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.171
Residual factor for significantly intense reflections	0.1393
Weighted residual factors for significantly intense reflections	0.3912
Weighted residual factors for all reflections included in the refinement	0.4179
Goodness-of-fit parameter for all reflections included in the refinement	1.695
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113392.cif
132627	2015-03-03	cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/.	7113392.cif
114621	2014-05-28	cif/ Adding structures of 7113392 via cif-deposit CGI script.	7113392.cif