Crystallography Open Database

Information card for entry 4028310

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Coordinates	4028310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 F N O4 S
Calculated formula	C26 H28 F N O4 S
Title of publication	Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles
Authors of publication	Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	5521 - 5529
a	8.0528 ± 0.0009 Å
b	11.9625 ± 0.0013 Å
c	24.136 ± 0.003 Å
α	90°
β	93.301 ± 0.008°
γ	90°
Cell volume	2321.2 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2013
Residual factor for significantly intense reflections	0.1722
Weighted residual factors for significantly intense reflections	0.4482
Weighted residual factors for all reflections included in the refinement	0.4699
Goodness-of-fit parameter for all reflections included in the refinement	1.705
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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