Crystallography Open Database

Information card for entry 7132832

Preview

Coordinates	7132832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 F3 N2 O4 S
Calculated formula	C19 H17 F3 N2 O4 S
Title of publication	Total synthesis of (±)-3-demethoxyerythratidinone <i>via</i> Tf<sub>2</sub>O-promoted cascade reaction of enaminone.
Authors of publication	Lou, Mingliang; Liu, Xiaolei; Han, Shoule; Bai, Songlin; Qi, Xiangbing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	28
Pages of publication	3842 - 3845
a	19.2019 ± 0.0004 Å
b	13.9245 ± 0.0003 Å
c	28.2926 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7564.8 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
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	0.0427
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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