Crystallography Open Database

Information card for entry 2228301

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Structure parameters

Chemical name	4-Ethoxyphenyl 4-[(methoxycarbonyl)oxy]benzoate
Formula	C17 H16 O6
Calculated formula	C17 H16 O6
SMILES	O(C)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(OCC)cc1
Title of publication	4-Ethoxyphenyl 4-[(methoxycarbonyl)oxy]benzoate
Authors of publication	Srinivasa, H. T.; Devarajegowda, H. C.; Arunkashi, H. K.; Meenakshi, T. G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	o3074
a	11.7397 ± 0.0005 Å
b	16.9703 ± 0.0006 Å
c	7.9324 ± 0.0003 Å
α	90°
β	96.949 ± 0.004°
γ	90°
Cell volume	1568.73 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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