Crystallography Open Database

Information card for entry 1554750

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Coordinates	1554750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C280 H248 F24 N8 O27 P8 Pd4 S8
Calculated formula	C280 H248 F24 N8 O27 P8 Pd4 S8
Title of publication	Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands
Authors of publication	Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	8
Pages of publication	1226
a	46.6905 ± 0.0008 Å
b	26.3232 ± 0.0003 Å
c	31.9982 ± 0.0005 Å
α	90°
β	97.75 ± 0.002°
γ	90°
Cell volume	38968 ± 1 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	8
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	0.0992
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2423
Weighted residual factors for all reflections included in the refinement	0.2681
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238098 (current)	2019-11-24	cif/ Adding structures of 1554748, 1554749, 1554750 via cif-deposit CGI script.	1554750.cif