Crystallography Open Database

Information card for entry 7157686

Preview

Coordinates	7157686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 F3 N O2
Calculated formula	C22 H24 F3 N O2
Title of publication	Synthesis of 1-benzylisoindoline and 1-benzyl-tetrahydroisoquinoline through nucleophilic addition of organozinc reagents to <i>N</i>,<i>O</i>-acetals.
Authors of publication	Ma, Rui-Jun; Sun, Jian-Ting; Liu, Chang-Hong; Chen, Ling; Si, Chang-Mei; Wei, Bang-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	36
Pages of publication	7139 - 7150
a	18.7943 ± 0.0014 Å
b	11.2236 ± 0.0008 Å
c	9.8308 ± 0.0008 Å
α	90°
β	95.655 ± 0.002°
γ	90°
Cell volume	2063.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.067
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
258967 (current)	2020-11-06	cif/ Updating files of 7157686 Original log message: Adding full bibliography for 7157686.cif.	7157686.cif
255795	2020-09-02	cif/ Adding structures of 7157686 via cif-deposit CGI script.	7157686.cif