Crystallography Open Database

Information card for entry 1569951

Preview

Coordinates	1569951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H49 O11 P3
Calculated formula	C51 H49 O11 P3
Title of publication	Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.
Authors of publication	Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	41
Pages of publication	11402 - 11409
a	9.5934 ± 0.0004 Å
b	16.0924 ± 0.0006 Å
c	16.5046 ± 0.0007 Å
α	61.503 ± 0.001°
β	88.68 ± 0.002°
γ	84.59 ± 0.002°
Cell volume	2228.61 ± 0.16 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0751
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1725
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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