Crystallography Open Database

Information card for entry 1504945

Preview

Coordinates	1504945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cs N O7
Calculated formula	C14 H16 Cs N O7
Title of publication	An Ireland-Claisen approach to beta-alkoxy alpha-amino acids.
Authors of publication	Tellam, James P.; Kociok-Köhn, Gabriele; Carbery, David R.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	22
Pages of publication	5199 - 5202
a	7.6258 ± 0.0002 Å
b	13.1985 ± 0.0003 Å
c	16.3312 ± 0.0005 Å
α	90°
β	100.566 ± 0.001°
γ	90°
Cell volume	1615.85 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
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.	1504945.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504945.cif
42487	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504945 via cif-deposit CGI script.	1504945.cif