Crystallography Open Database

Information card for entry 7159415

Preview

Coordinates	7159415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N O6
Calculated formula	C23 H17 N O6
SMILES	o1c(N2C(=O)OCC2)c(c2ccccc12)c1c(O)c(cc2ccccc12)C(=O)OC
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	11.6847 ± 0.0003 Å
b	13.9633 ± 0.0003 Å
c	23.2986 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3801.33 ± 0.16 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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