Crystallography Open Database

Information card for entry 7230290

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Coordinates	7230290.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Naphthylethylammonium Formate
Formula	C13 H15 N O2
Calculated formula	C13 H15 N O2
Title of publication	π-Choreography in aromatic ammonium formate solids
Authors of publication	Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	13
Pages of publication	1899
a	6.9086 ± 0.0003 Å
b	17.9665 ± 0.0007 Å
c	9.184 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1139.95 ± 0.08 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	110.96 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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