Crystallography Open Database

Information card for entry 4509130

Preview

Coordinates	4509130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N O2
Calculated formula	C18 H18 N O2
SMILES	[O-]C(=O)CCCCCC.[NH3+]Cc1cccc2ccccc12
Title of publication	Molecular Solid Solutions with Steric Complementary Pairing from the Binary Mixtures of 1-Naphthylmethylammonium Alkanoates
Authors of publication	Inoue, Katsunari; Tohnai, Norimitsu; Miyata, Mikiji; Matsumoto, Akikazu; Tani, Takahiro; Goto, Yuta; Shinkai, Seiji; Sada, Kazuki
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	2
Pages of publication	1072
a	4.79 ± 0.02 Å
b	10.46 ± 0.03 Å
c	34.2 ± 0.1 Å
α	87.9 ± 0.2°
β	86.2 ± 0.2°
γ	89 ± 0.2°
Cell volume	1708 ± 10 Å³
Cell temperature	296.2 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 significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.635
Diffraction radiation wavelength	1.5419 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509130.cif
169182	2015-10-18	cif/4: Fixing Z values and formulae	4509130.cif
97120	2014-01-29	cif/ Adding structures of 4509130 via cif-deposit CGI script.	4509130.cif