Crystallography Open Database

Information card for entry 4119372

4119371 << 4119372 >> 4119373

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Coordinates	4119372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.8 H51.2 F12 N4 O0.8 P2
Calculated formula	C52.8 H51.2 F12 N4 O0.8 P2
Title of publication	Redox-Controlled Selective Docking in a [2]Catenane Host
Authors of publication	Gokhan Barin; Marco Frasconi; Scott M. Dyar; Julien Iehl; Onur Buyukcakir; Amy A. Sarjeant; Raanan Carmieli; Ali Coskun; Michael R. Wasielewski; J. Fraser Stoddart
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2466 - 2469
a	19.0012 ± 0.0006 Å
b	11.2967 ± 0.0004 Å
c	13.7427 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2949.88 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	0.899
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CUKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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