Crystallography Open Database

Information card for entry 4112209

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Coordinates	4112209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 N O2
Calculated formula	C20 H29 N O2
SMILES	[O-]C(=O)CCCCCCCC.[NH3+]Cc1c2c(ccc1)cccc2
Title of publication	Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension
Authors of publication	Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	1764 - 1771
a	10.8715 ± 0.0004 Å
b	4.8081 ± 0.0002 Å
c	34.691 ± 0.002 Å
α	90°
β	91.415 ± 0.004°
γ	90°
Cell volume	1812.79 ± 0.15 Å³
Cell temperature	203.2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.788
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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