Crystallography Open Database

Information card for entry 1504177

Preview

Coordinates	1504177.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	09105a
Formula	C22 H19 N O5
Calculated formula	C22 H19 N O5
SMILES	O=C1O[C@H]([C@H](N1c1oc(c(c1)C(=O)OC)C)c1ccccc1)c1ccccc1
Title of publication	Highly substituted 2-amido-furans from Rh(II)-catalyzed cyclopropenations of ynamides.
Authors of publication	Li, Hongyan; Hsung, Richard P.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	19
Pages of publication	4462 - 4465
a	5.7776 ± 0.0007 Å
b	16.337 ± 0.002 Å
c	20.021 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1889.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0547
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	1504177.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504177.cif
39456	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504177 via cif-deposit CGI script.	1504177.cif