Crystallography Open Database

Information card for entry 1544311

Preview

Coordinates	1544311.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethyl (naphthalen-2-yloxy)acetate
Formula	C14 H14 O3
Calculated formula	C14 H14 O3
SMILES	O(c1ccc2ccccc2c1)CC(=O)OCC
Title of publication	Ethyl (naphthalen-2-yloxy)acetate
Authors of publication	Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	10
Pages of publication	x161594
a	6.0504 ± 0.0011 Å
b	10.2188 ± 0.0013 Å
c	10.8744 ± 0.0016 Å
α	106.062 ± 0.012°
β	102.923 ± 0.014°
γ	103.358 ± 0.014°
Cell volume	598.14 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1633
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2589
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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