Crystallography Open Database

Information card for entry 1573295

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Coordinates	1573295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H16 F24 P2
Calculated formula	C42 H16 F24 P2
Title of publication	Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Authors of publication	Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	255 - 279
a	18.2822 ± 0.0014 Å
b	17.4936 ± 0.0012 Å
c	15.4479 ± 0.0018 Å
α	90°
β	124.678 ± 0.003°
γ	90°
Cell volume	4062.9 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
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	0.0754
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for all reflections	0.1765
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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