Crystallography Open Database

Information card for entry 1569953

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Coordinates	1569953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H55 O13 P3
Calculated formula	C53 H55 O13 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	17.3052 ± 0.0012 Å
b	9.0255 ± 0.001 Å
c	17.3209 ± 0.0018 Å
α	90°
β	119.957 ± 0.002°
γ	90°
Cell volume	2343.9 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2114
Weighted residual factors for all reflections included in the refinement	0.2581
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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