Crystallography Open Database

Information card for entry 4029020

Preview

Coordinates	4029020.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ccs20nov12
Formula	C17 H26 Li N O2
Calculated formula	C17 H26 Li N O2
Title of publication	Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.
Authors of publication	Su, Chicheung; Guang, Jie; Williard, Paul G.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	3
Pages of publication	1032
a	9.7929 ± 0.0009 Å
b	11.8274 ± 0.001 Å
c	15.003 ± 0.0013 Å
α	90°
β	104.686 ± 0.004°
γ	90°
Cell volume	1680.9 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.2134
Weighted residual factors for all reflections included in the refinement	0.229
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178469 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/90.	4029020.cif
104298	2014-03-10	cif/ Adding structures of 4029017, 4029018, 4029019, 4029020, 4029021, 4029022, 4029023, 4029024, 4029025, 4029026, 4029027, 4029028, 4029029, 4029030 via cif-deposit CGI script.	4029020.cif