Crystallography Open Database

Information card for entry 7158670

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Coordinates	7158670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 O5
Calculated formula	C16 H10 O5
Title of publication	Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.
Authors of publication	Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	19
Pages of publication	3917 - 3921
a	4.4392 ± 0.0001 Å
b	6.5027 ± 0.0001 Å
c	22.2547 ± 0.0003 Å
α	90°
β	91.313 ± 0.001°
γ	90°
Cell volume	642.25 ± 0.02 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.1546
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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