Crystallography Open Database

Information card for entry 7156345

Preview

Coordinates	7156345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 F N O4
Calculated formula	C17 H20 F N O4
Title of publication	Synthesis of highly substituted 2-spiropiperidines.
Authors of publication	Griggs, Samuel D.; Thompson, Nathan; Tape, Daniel T.; Fabre, Marie; Clarke, Paul A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	36
Pages of publication	6663 - 6674
a	6.44998 ± 0.0001 Å
b	20.5679 ± 0.0003 Å
c	23.9334 ± 0.0004 Å
α	90°
β	94.4481 ± 0.0015°
γ	90°
Cell volume	3165.5 ± 0.09 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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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