Crystallography Open Database

Information card for entry 4029019

Preview

Coordinates	4029019.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ccs17aug12
Formula	C32 H48 Li2 N2 O4
Calculated formula	C32 H48 Li2 N2 O4
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	18.5362 ± 0.0016 Å
b	14.7209 ± 0.0012 Å
c	11.5776 ± 0.001 Å
α	90°
β	96.352 ± 0.006°
γ	90°
Cell volume	3139.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0665
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	4029019.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.	4029019.cif