Crystallography Open Database

Information card for entry 7159416

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Coordinates	7159416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N O6
Calculated formula	C23 H17 N O6
Title of publication	Gold-catalyzed tandem reaction of <i>o</i>-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.
Authors of publication	Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	28
Pages of publication	5752 - 5756
a	9.4331 ± 0.0002 Å
b	11.3391 ± 0.0002 Å
c	17.036 ± 0.0003 Å
α	90°
β	96.516 ± 0.001°
γ	90°
Cell volume	1810.45 ± 0.06 Å³
Cell temperature	214 K
Ambient diffraction temperature	214 K
Number of distinct elements	4
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	0.0543
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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