Crystallography Open Database

Information card for entry 1576503

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Coordinates	1576503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H55 O2 P Si
Calculated formula	C37 H55 O2 P Si
Title of publication	Deoxygenative Phosphonation of Ketones by Titanium
Authors of publication	Wang, Yuquan; Yin, Kai; Pang, Xiaobo; Shu, Xing-Zhong
Journal of publication	Chemical Science
Year of publication	2026
a	6.1607 ± 0.0001 Å
b	16.4581 ± 0.0002 Å
c	33.3457 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3381.03 ± 0.08 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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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