Crystallography Open Database

Information card for entry 7161166

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Coordinates	7161166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 O5 P
Calculated formula	C29 H37 O5 P
Title of publication	Construction of P-stereogenic phosphine oxides via Lewis base-catalyzed enantioselective O-Boc protection
Authors of publication	Wang, Yike; Chen, Xingkuan; Xu, Jianfeng
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2026
a	8.5093 ± 0.0001 Å
b	17.3102 ± 0.0003 Å
c	8.9737 ± 0.0002 Å
α	90°
β	92.984 ± 0.002°
γ	90°
Cell volume	1320.01 ± 0.04 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 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	0.0435
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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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