Crystallography Open Database

Information card for entry 1501917

1501916 << 1501917 >> 1501918

Preview

Coordinates	1501917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O4
Calculated formula	C24 H23 N O4
SMILES	O=C(OC)C1(Cc2c(N([C@H]1c1cccc3ccccc13)C)cccc2)C(=O)OC
Title of publication	Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization.
Authors of publication	Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	4
Pages of publication	600 - 603
a	7.7205 ± 0.0015 Å
b	14.032 ± 0.003 Å
c	9.5919 ± 0.0019 Å
α	90°
β	104.39 ± 0.03°
γ	90°
Cell volume	1006.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501917.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501917.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501917.cif
35259	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501917 via cif-deposit CGI script.	1501917.cif