Crystallography Open Database

Information card for entry 7128708

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Coordinates	7128708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 F12 N6 O15 P2
Calculated formula	C60 H72 F12 N6 O15 P2
Title of publication	A metal-carbene template approach enables efficient synthesis of a functionalized cage-annulated crown ether.
Authors of publication	Chang, Jin-Ping; Sun, Li-Ying; Zhang, Zi-En; An, Yuan-Yuan; Zhang, Le; Yu, Jian-Gang; Han, Ying-Feng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	69
Pages of publication	8584 - 8587
a	25.2644 ± 0.001 Å
b	17.794 ± 0.0008 Å
c	15.8935 ± 0.0007 Å
α	90°
β	112.986 ± 0.001°
γ	90°
Cell volume	6577.7 ± 0.5 Å³
Cell temperature	151 K
Ambient diffraction temperature	151 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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