Crystallography Open Database

Information card for entry 1520690

1520689 << 1520690 >> 1520691

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Coordinates	1520690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 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	21.242 ± 0.001 Å
b	10.485 ± 0.001 Å
c	16.214 ± 0.001 Å
α	90°
β	128.75 ± 0.01°
γ	90°
Cell volume	2816.3 ± 0.5 Å³
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	1520690.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520690.cif
139753	2015-06-29	cif/ Adding structures of 1520690 via cif-deposit CGI script.	1520690.cif