Crystallography Open Database

Information card for entry 7101600

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Coordinates	7101600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl2 Cu N4 O9
Calculated formula	C22 H30 Cl2 Cu N4 O9
Title of publication	An easy route towards regioselectively difunctionalized cyclens and new cryptands
Authors of publication	R.Guilard; Fanny Chaux; Franck Denat; Enrique Espinosa
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	48
a	12.1266 ± 0.0002 Å
b	13.4493 ± 0.0003 Å
c	15.1931 ± 0.0003 Å
α	90°
β	94.26 ± 0.001°
γ	90°
Cell volume	2471.06 ± 0.08 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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