Crystallography Open Database

Information card for entry 4022550

Preview

Coordinates	4022550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 O8
Calculated formula	C16 H20 O8
SMILES	C(=O)(OC)C12C3(C(=O)OC)CC(C(C(=O)OC)(C1)C3)(C(=O)OC)C2
Title of publication	Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate
Authors of publication	Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	8715 - 8718
a	12.707 ± 0.004 Å
b	13.653 ± 0.002 Å
c	19.07 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3308 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1246
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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