Crystallography Open Database

Information card for entry 7160495

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Coordinates	7160495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H30 O2 P
Calculated formula	C41 H30 O2 P
Title of publication	Base-promoted regio- and diastereoselective synthesis of tri- and tetra-substituted homoallenyl phosphine oxides <i>via</i> alkynyl enones.
Authors of publication	Zhou, Shaochan; Zou, Haotian; Huang, Xianqiang; Qi, Jialin; Xu, Zhenghu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	19
Pages of publication	4718 - 4724
a	10.006 ± 0.012 Å
b	12.706 ± 0.016 Å
c	13.425 ± 0.016 Å
α	75.18 ± 0.04°
β	71.99 ± 0.03°
γ	75.35 ± 0.04°
Cell volume	1541 ± 3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1452
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.2341
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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