Crystallography Open Database

Information card for entry 7219615

7219614 << 7219615 >> 7219616

Preview

Coordinates	7219615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 Cl3 F2 N3 O8.5
Calculated formula	C47 H41 Cl3 F2 N3 O8.5
Title of publication	Dimeric packing of molecular clips induced by interactions between π-systems
Authors of publication	Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	2486
a	12.9379 ± 0.0012 Å
b	13.0294 ± 0.0012 Å
c	15.7092 ± 0.0014 Å
α	114.083 ± 0.001°
β	93.522 ± 0.001°
γ	111.344 ± 0.001°
Cell volume	2182.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219615.cif
134926	2015-04-06	cif/ Updating files of 7219611, 7219612, 7219613, 7219614, 7219615, 7219616, 7219617 Original log message: Adding full bibliography for 7219611--7219617.cif.	7219615.cif
132113	2015-02-20	cif/ Adding structures of 7219611, 7219612, 7219613, 7219614, 7219615, 7219616, 7219617 via cif-deposit CGI script.	7219615.cif