Crystallography Open Database

Information card for entry 4125780

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Structure parameters

Formula	C23 H31 F O3
Calculated formula	C23 H31 F O3
Title of publication	Multiple Enone-Directed Reactivity Modes Lead to the Selective Photochemical Fluorination of Polycyclic Terpenoid Derivatives.
Authors of publication	Pitts, Cody Ross; Bume, Desta Doro; Harry, Stefan Andrew; Siegler, Maxime A.; Lectka, Thomas
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	6
Pages of publication	2208 - 2211
a	9.55555 ± 0.00016 Å
b	7.80421 ± 0.0001 Å
c	25.874 ± 0.0004 Å
α	90°
β	90.4089 ± 0.0015°
γ	90°
Cell volume	1929.47 ± 0.05 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 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	0.0387
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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