Crystallography Open Database

Information card for entry 4119137

4119136 << 4119137 >> 4119138

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Coordinates	4119137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H49 F24 N7 P4
Calculated formula	C54 H49 F24 N7 P4
Title of publication	ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger
Authors of publication	Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	183 - 192
a	21.9198 ± 0.0006 Å
b	16.2998 ± 0.0005 Å
c	36.9045 ± 0.0011 Å
α	90°
β	98.513 ± 0.002°
γ	90°
Cell volume	13040.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	5
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	0.0989
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2283
Weighted residual factors for all reflections included in the refinement	0.2419
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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