Crystallography Open Database

Information card for entry 1520691

1520690 << 1520691 >> 1520692

Preview

Coordinates	1520691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N3
Title of publication	The Analogy Between C=O and C=C(CN)2: Structural Properties of 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano- 1,3-butadienes
Authors of publication	Karlsen, Hege; Kolsaker, Per; Romming, Christian; Uggerud, Einar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	391 - 398
a	19.876 ± 0.001 Å
b	9.914 ± 0.001 Å
c	13.8064 ± 0.0001 Å
α	90°
β	90.33 ± 0.01°
γ	90°
Cell volume	2720.5 ± 0.3 Å³
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188978 (current)	2016-12-06	cif/ (antanas@echidna.ibt.lt) Replacing dummy atoms with unknown values. This is the standard way of marking entries in the COD that do not contain atom coordinates.	1520691.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520691.cif
139754	2015-06-29	cif/ Adding structures of 1520691 via cif-deposit CGI script.	1520691.cif