Crystallography Open Database

Information card for entry 7118854

Preview

Coordinates	7118854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
SMILES	c1(c(C(=O)OC)[nH]cc1C(=O)OC)Cc1cccc2ccccc12
Title of publication	Magnetically recoverable Cu(0)/Fe3O4 catalyzed highly regioselective synthesis of 2,3,4-trisubstituted pyrroles from unactivated terminal alkynes and isocyanides.
Authors of publication	Tiwari, Dipak Kumar; Phanindrudu, Mandalaparthi; Aravilli, Vinod Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	25
Pages of publication	4675 - 4678
a	8.9379 ± 0.0013 Å
b	10.7203 ± 0.0016 Å
c	11.0337 ± 0.0016 Å
α	118.687 ± 0.002°
β	110.073 ± 0.002°
γ	93.964 ± 0.002°
Cell volume	835.3 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0669
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
181544 (current)	2016-04-05	cif/ Updating files of 7118854 Original log message: Adding full bibliography for 7118854.cif.	7118854.cif
178029	2016-03-09	cif/ Adding structures of 7118854 via cif-deposit CGI script.	7118854.cif