Crystallography Open Database

Information card for entry 7113443

Preview

Coordinates	7113443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H38 N6 O6
Calculated formula	C59 H38 N6 O6
Title of publication	Formation of pyrene nano-rods within a supramolecular framework
Authors of publication	Ma, Bao-Qing; Coppens, Philip
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	18
Pages of publication	2290 - 2291
a	36.822 ± 0.003 Å
b	18.7938 ± 0.0016 Å
c	12.9043 ± 0.001 Å
α	90°
β	90.533 ± 0.004°
γ	90°
Cell volume	8929.7 ± 1.3 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 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	0.2065
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104801
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210585 (current)	2018-09-08	cif/7/ Updating bibliography in entries 7104801, 7113443. Marking entry 7113443 as a duplicate of entry 7104801.	7113443.cif
180248	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 7/11/34.	7113443.cif
115066	2014-06-02	cif/ Adding structures of 7113443 via cif-deposit CGI script.	7113443.cif