Crystallography Open Database

Information card for entry 7158804

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Coordinates	7158804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 N O4 P
Calculated formula	C15 H24 N O4 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	10.2351 ± 0.0003 Å
b	8.1643 ± 0.0002 Å
c	20.5765 ± 0.0005 Å
α	90°
β	98.163 ± 0.001°
γ	90°
Cell volume	1702 ± 0.08 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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