Crystallography Open Database

Information card for entry 7063108

Preview

Coordinates	7063108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 F3 N O5
Calculated formula	C25 H20 F3 N O5
Title of publication	Efficient synthesis of bioactive isoindolinone derivatives containing continuous quaternary carbons by intermolecular OH transfer
Authors of publication	He, Yingying; Li, Hongtao; Song, Longlong; Chen, Lili; Liu, Shunying
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	17
Pages of publication	7754 - 7760
a	8.2517 ± 0.0002 Å
b	20.7292 ± 0.0007 Å
c	13.3563 ± 0.0005 Å
α	90°
β	102.561 ± 0.003°
γ	90°
Cell volume	2229.93 ± 0.13 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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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