Crystallography Open Database

Information card for entry 1519406

1519405 << 1519406 >> 1519407

Preview

Coordinates	1519406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 B F4 N3 O Si
Calculated formula	C35 H38 B F4 N3 O Si
SMILES	[Si](OC([C@H]1[n+]2c(nn(c2)c2c(cc(cc2C)C)C)c2ccccc2C1)(c1ccccc1)c1ccccc1)(C)(C)C.[B](F)(F)(F)[F-]
Title of publication	Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine
Authors of publication	Li, Guo-Tai; Gu, Qing; You, Shu-Li
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	7
Pages of publication	4273
a	11.541 ± 0.0007 Å
b	11.541 ± 0.0007 Å
c	52.812 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	6091.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
143335 (current)	2015-07-10	cif/ Updating files of 1519405, 1519406 Original log message: Adding full bibliography for 1519405--1519406.cif.	1519406.cif
135793	2015-05-09	cif/ Adding structures of 1519405, 1519406 via cif-deposit CGI script.	1519406.cif