Crystallography Open Database

Information card for entry 7158805

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Coordinates	7158805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 F N O5 P
Calculated formula	C17 H25 F N O5 P
Title of publication	In(OTf)3-catalyzed N-α phosphonylation of N,O-acetals with triethyl phosphite
Authors of publication	Sun, Jian-Ting; Li, Xin; Yang, Tian-Yu; Lv, Min; Chen, Ling-Yan; Wei, Bang-Guo
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2022
a	9.268 ± 0.0004 Å
b	9.7857 ± 0.0005 Å
c	11.9313 ± 0.0006 Å
α	76.99 ± 0.002°
β	68.228 ± 0.001°
γ	77.696 ± 0.002°
Cell volume	969.02 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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