Crystallography Open Database

Information card for entry 4022551

Preview

Coordinates	4022551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 O8
Calculated formula	C16 H22 O8
SMILES	COC(=O)C12C(C(=O)OC)(CC(C2)C(=O)OC)CC(C1)C(=O)OC
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	8.572 ± 0.001 Å
b	11.57 ± 0.001 Å
c	16.588 ± 0.001 Å
α	90°
β	90 ± 0.001°
γ	90°
Cell volume	1645.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P c a n
Hall space group symbol	-P 2n 2c
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4022551.html