Crystallography Open Database

Information card for entry 1502767

Preview

Coordinates	1502767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N4 O
Calculated formula	C34 H30 N4 O
Title of publication	Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds
Authors of publication	Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2010
Journal volume	114
Journal issue	7
Pages of publication	2925
a	18.382 ± 0.004 Å
b	5.7303 ± 0.0011 Å
c	25.034 ± 0.005 Å
α	90°
β	92.7 ± 0.03°
γ	90°
Cell volume	2634 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1874
Residual factor for significantly intense reflections	0.1456
Weighted residual factors for significantly intense reflections	0.2172
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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.	1502767.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502767.cif
36713	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502767 via cif-deposit CGI script.	1502767.cif