Crystallography Open Database

Information card for entry 1513426

Preview

Coordinates	1513426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 N O5 P
Calculated formula	C46 H40 N O5 P
Title of publication	Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.
Authors of publication	Morin, Marie S. T.; Arndtsen, Bruce A.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	1056 - 1059
a	11.4547 ± 0.0003 Å
b	13.3323 ± 0.0004 Å
c	48.8967 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7467.4 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1513426.cif
104544	2014-03-11	cif/ Adding structures of 1513426 via cif-deposit CGI script.	1513426.cif