Crystallography Open Database

Information card for entry 7159754

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Coordinates	7159754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O4 S
Calculated formula	C19 H18 O4 S
Title of publication	Synthesis of 4-sulfonyl-1,7-diesters <i>via</i> K<sub>2</sub>CO<sub>3</sub>-mediated alkylative debenzoylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with acrylates.
Authors of publication	Chang, Meng-Yang; Chen, Pin-Hsien
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	6
Pages of publication	1194 - 1204
a	16.5325 ± 0.0005 Å
b	5.5611 ± 0.0002 Å
c	19.0631 ± 0.0006 Å
α	90°
β	110.6 ± 0.004°
γ	90°
Cell volume	1640.58 ± 0.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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