Crystallography Open Database

Information card for entry 4112738

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Structure parameters

Formula	C19 H23 N O4
Calculated formula	C19 H23 N O4
Title of publication	A Diversity-Oriented Strategy for the Construction of Tetrasubstituted Pyrroles via Coupled Domino Processes
Authors of publication	David Tejedor; David González-Cruz; Fernando García-Tellado; José Juan Marrero-Tellado; Matías López Rodríguez
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8390 - 8391
a	9.854 ± 0.001 Å
b	13.947 ± 0.002 Å
c	13.89 ± 0.002 Å
α	90°
β	114.56 ± 0.01°
γ	90°
Cell volume	1736.2 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4112738.cif
178898	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112738.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112738.cif
65151	2012-09-05	cif/ Adding structures of 4112738 via cif-deposit CGI script.	4112738.cif