Crystallography Open Database

Information card for entry 7133969

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Coordinates	7133969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N O6 S
Calculated formula	C14 H15 N O6 S
Title of publication	Base-Promoted Cascade 5-exo-dig Annulation/Carboxylation of o-(1-Alkynyl)benzenesulfonamides with CO2: Divergent Synthesis of Mono- or Gem-dicarboxylic Esters
Authors of publication	Yao, Yang; Bai, Junxue; Cheng, Peidong; Yang, Han; Sun, Jianwei; Sun, Song
Journal of publication	Chemical Communications
Year of publication	2024
a	7.9471 ± 0.0006 Å
b	7.9767 ± 0.0006 Å
c	12.2761 ± 0.001 Å
α	74.518 ± 0.002°
β	88.476 ± 0.003°
γ	84.62 ± 0.002°
Cell volume	746.66 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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