Crystallography Open Database

Information card for entry 4025034

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Structure parameters

Formula	C15 H13 Cl O4
Calculated formula	C15 H13 Cl O4
SMILES	O1C(OC(=O)\C(=C2CCc3cc(ccc/23)Cl)C1=O)(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	7.1614 ± 0.0003 Å
b	7.8727 ± 0.0003 Å
c	12.7902 ± 0.0005 Å
α	76.021 ± 0.001°
β	74.192 ± 0.001°
γ	78.317 ± 0.001°
Cell volume	666.03 ± 0.05 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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