Crystallography Open Database

Information card for entry 7247787

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Coordinates	7247787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 F6 N2 O2
Calculated formula	C34 H26 F6 N2 O2
Title of publication	Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles
Authors of publication	Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	1
Pages of publication	448 - 455
a	10.0648 ± 0.0008 Å
b	11.6308 ± 0.0008 Å
c	13.8611 ± 0.001 Å
α	68.976 ± 0.002°
β	87.671 ± 0.003°
γ	69.921 ± 0.002°
Cell volume	1416.21 ± 0.18 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0737
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1917
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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