Crystallography Open Database

Information card for entry 1507335

Preview

Coordinates	1507335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.17 H17 N O3
Calculated formula	C19.16 H17 N O3
Title of publication	Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.
Authors of publication	Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	14
Pages of publication	2531 - 2534
a	19.154 ± 0.003 Å
b	19.154 ± 0.003 Å
c	8.393 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2666.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
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.	1507335.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507335.cif
53832	2012-04-20	cif/ Adding structures of 1507335 via cif-deposit CGI script.	1507335.cif