Crystallography Open Database

Information card for entry 4034235

Preview

Coordinates	4034235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H57 F18 N8 P3
Calculated formula	C57 H57 F18 N8 P3
Title of publication	Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.
Authors of publication	Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	7
Pages of publication	4221 - 4228
a	14.3935 ± 0.0008 Å
b	14.3935 ± 0.0008 Å
c	17.2887 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	3101.9 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.3218
Residual factor for significantly intense reflections	0.2754
Weighted residual factors for significantly intense reflections	0.7053
Weighted residual factors for all reflections included in the refinement	0.7483
Goodness-of-fit parameter for all reflections included in the refinement	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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