Crystallography Open Database

Information card for entry 7153870

Preview

Coordinates	7153870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H14 F5 N O4
Calculated formula	C26 H14 F5 N O4
SMILES	Fc1c(N2C(=O)[C@@H]3[C@@H](C4c5c(C3(c3c4cccc3)C(=O)OC)cccc5)C2=O)c(F)c(F)c(F)c1F.Fc1c(N2C(=O)[C@H]3[C@H](C4c5c(C3(c3c4cccc3)C(=O)OC)cccc5)C2=O)c(F)c(F)c(F)c1F
Title of publication	Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.
Authors of publication	Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	28
Pages of publication	5102 - 5107
a	12.761 ± 0.003 Å
b	20.483 ± 0.004 Å
c	8.2482 ± 0.0015 Å
α	90°
β	98.692 ± 0.003°
γ	90°
Cell volume	2131.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153870.cif
119526	2014-07-07	cif/ Updating files of 7153869, 7153870, 7153871 Original log message: Adding full bibliography for 7153869--7153871.cif.	7153870.cif
115587	2014-06-04	cif/ Adding structures of 7153869, 7153870, 7153871 via cif-deposit CGI script.	7153870.cif