Crystallography Open Database

Information card for entry 7108835

Preview

Coordinates	7108835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 N3 O3
Calculated formula	C26 H23 N3 O3
SMILES	N(C(=O)C1=C(N(C(C(=O)Nc2ccccc2)(C1=O)C)c1ccccc1)C)c1ccccc1
Title of publication	Cu(II)-catalyzed cyclization of α-diazo-β-oxoamides with amines leading to pyrrol-3(2H)-ones
Authors of publication	Wang, Zikun; Bi, Xihe; Liao, Peiqiu; Liu, Xu; Dong, Dewen
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	13
Pages of publication	1309 - 1311
a	11.1712 ± 0.0011 Å
b	12.066 ± 0.0012 Å
c	17.6929 ± 0.0018 Å
α	70.489 ± 0.002°
β	83.942 ± 0.002°
γ	86.093 ± 0.002°
Cell volume	2234 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0878
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
210832 (current)	2018-09-11	cif/7/ Updating bibliography in entries 7108835, 7112293. Marking entry 7112293 as a duplicate of entry 7108835.	7108835.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7108835.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108835.cif
72560	2013-01-22	cif/ Adding structures of 7108835 via cif-deposit CGI script.	7108835.cif