Crystallography Open Database

Information card for entry 7117796

Preview

Coordinates	7117796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O7
Calculated formula	C20 H22 O7
SMILES	C1Oc2cc(ccc2O1)c1ccc(cc1)C(C(=O)OC)(C(OC)OC)OC
Title of publication	Rhodium-catalysed alkoxylation/acetalization of diazo compounds: one-step synthesis of highly functionalised quaternary carbon centres
Authors of publication	Jola Pospech; Alastair J. J. Lennox; Matthias Beller
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14505
a	9.7096 ± 0.0003 Å
b	7.1009 ± 0.0002 Å
c	26.6401 ± 0.0007 Å
α	90°
β	100.031 ± 0.001°
γ	90°
Cell volume	1808.68 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1182
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

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