Crystallography Open Database

Information card for entry 7116028

Preview

Coordinates	7116028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 N6 O10
Calculated formula	C70 H70 N6 O10
SMILES	N1C(=O)COc2ccc(C(c3ccc(OCC(=O)NCCNC(=O)COc4ccc(C(c5ccc(OCC(=O)NCC1)cc5)=C(c1ccccc1)c1ccccc1)cc4)cc3)=C(c1ccccc1)c1ccccc1)cc2.N(C=O)(C)C.N(C=O)(C)C
Title of publication	Microtubes and hollow microspheres formed by winding of nanoribbons from self-assembly of tetraphenylethylene amide macrocycles
Authors of publication	Song Song; Hua-Fei Zheng; Hai-Tao Feng; Yan-Song Zheng
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15212
a	9.3702 ± 0.0011 Å
b	17.6226 ± 0.0019 Å
c	20.22 ± 0.003 Å
α	110.254 ± 0.003°
β	93.202 ± 0.003°
γ	104.012 ± 0.002°
Cell volume	3003.2 ± 0.7 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1972
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
180274 (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 7/11/60.	7116028.cif
128809	2014-12-17	cif/ Adding structures of 7116028 via cif-deposit CGI script.	7116028.cif