Crystallography Open Database

Information card for entry 4025038

Preview

Structure parameters

Formula	C16 H19 Cl O4
Calculated formula	C16 H19 Cl O4
SMILES	O1C(OC(=O)C(C1=O)[C@](c1cccc(c1)Cl)(CC)C)(C)C
Title of publication	Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids
Authors of publication	Ashraf Wilsily; Eric Fillion
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	8583 - 8594
a	6.0602 ± 0.0002 Å
b	13.2865 ± 0.0009 Å
c	18.6571 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1502.25 ± 0.14 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 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/4025038.html