Crystallography Open Database

Information card for entry 7216784

Preview

Coordinates	7216784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 F N3 O4
Calculated formula	C20 H25 F N3 O4
SMILES	Fc1ccc(cc1)C(=O)C1=C2NCCCN2C(=O)C1CC(=O)NCC.OCC
Title of publication	Catalyst-free cascade reaction of heterocyclic ketene aminals with N-substituted maleimide to synthesise bicyclic pyrrolidinone derivatives
Authors of publication	Liu, Jin; Zhang, Hai-Rui; Lin, Xin-Rong; Yan, Sheng-Jiao; Lin, Jun
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	52
Pages of publication	27582
a	8.9553 ± 0.0013 Å
b	9.957 ± 0.0014 Å
c	12.2938 ± 0.0017 Å
α	107.762 ± 0.002°
β	97.915 ± 0.002°
γ	98.959 ± 0.002°
Cell volume	1011 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1158
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2346
Goodness-of-fit parameter for all reflections included in the refinement	1.299
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
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216784.cif
118173	2014-06-26	cif/ Adding structures of 7216784 via cif-deposit CGI script.	7216784.cif