Crystallography Open Database

Information card for entry 8106398

Preview

Coordinates	8106398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O5
Calculated formula	C16 H14 O5
Title of publication	Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5
Authors of publication	Maxweel, Lindley; Cárdenas, Alejandro; Brito, Iván
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1059 - 1060
a	7.4156 ± 0.0005 Å
b	31.415 ± 0.002 Å
c	5.9451 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1384.98 ± 0.16 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.05 K
Number of distinct elements	3
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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