Crystallography Open Database

Information card for entry 1542380

Preview

Coordinates	1542380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 O8
Calculated formula	C16 H20 O8
SMILES	O(C)C(=O)C1=C(OC2(O1)CCC1(OC(=C(O1)C(=O)OC)C)CC2)C
Title of publication	Synthesis of Spiro Ketals, Orthoesters, and Orthocarbonates by CpRu-Catalyzed Decomposition of α-Diazo-β-ketoesters.
Authors of publication	Tortoreto, Cecilia; Achard, Thierry; Egger, Léo; Guénée, Laure; Lacour, Jérôme
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	2
Pages of publication	240 - 243
a	18.5685 ± 0.0005 Å
b	6.67667 ± 0.00014 Å
c	13.82 ± 0.0004 Å
α	90°
β	108.928 ± 0.003°
γ	90°
Cell volume	1620.7 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0458
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.67
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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