Crystallography Open Database

Information card for entry 8104727

Preview

Coordinates	8104727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 O6
Calculated formula	C18 H20 O6
Title of publication	Crystal structure of diethyl-2,2′-naphthalene-2,3-diylbis(oxy)diacetate, C18H20O6
Authors of publication	Li, Peipei; Huang, Yu; Fan, Yanru; Wang, Hao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	835 - 837
a	27.191 ± 0.003 Å
b	8.7442 ± 0.0003 Å
c	20.861 ± 0.002 Å
α	90°
β	136.337 ± 0.018°
γ	90°
Cell volume	3424.5 ± 1.2 Å³
Cell temperature	294.7 ± 0.4 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0637
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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