Crystallography Open Database

Information card for entry 1502631

Preview

Coordinates	1502631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O5
Calculated formula	C19 H19 N O5
SMILES	O=N(=O)c1ccccc1C/C=C/c1c(c(ccc1O)C(=O)OCC)C
Title of publication	Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.
Authors of publication	Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.
Journal of publication	Journal of combinatorial chemistry
Year of publication	2010
Journal volume	12
Journal issue	6
Pages of publication	855 - 876
a	8.025 ± 0.003 Å
b	8.415 ± 0.003 Å
c	14.351 ± 0.006 Å
α	87.633 ± 0.008°
β	83.514 ± 0.006°
γ	61.76 ± 0.005°
Cell volume	848.2 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.1894
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	1502631.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502631.cif
35924	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502631 via cif-deposit CGI script.	1502631.cif