Crystallography Open Database

Information card for entry 7133528

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Coordinates	7133528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 F3 O2
Calculated formula	C25 H21 F3 O2
Title of publication	HFIP promoted carbo-lactonisation as a new route to functionalised lactones.
Authors of publication	Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	73
Pages of publication	9997 - 10000
a	12.0864 ± 0.0002 Å
b	6.0321 ± 0.0001 Å
c	13.7269 ± 0.0002 Å
α	90°
β	92.8739 ± 0.0017°
γ	90°
Cell volume	999.52 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for all reflections	0.0944
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	0.9745
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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