Crystallography Open Database

Information card for entry 7110394

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Structure parameters

Formula	C26 H28 F12 N2 O8
Calculated formula	C26 H28 F12 N2 O8
Title of publication	1,8-Diazabicyclo[6.6.6]eicosa-4,11,17-triyne: a flexible cage for protons, copper(I) and silver(I)
Authors of publication	Kunze, Andreas; Gleiter, Rolf; Rominger, Frank
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	2
Pages of publication	171
a	16.0744 ± 0.0001 Å
b	10.219 ± 0.0002 Å
c	18.9058 ± 0.0003 Å
α	90°
β	91.593 ± 0.001°
γ	90°
Cell volume	3104.35 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0638
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for all reflections	0.1277
Weighted residual factors for significantly intense reflections	0.1119
Goodness-of-fit parameter for all reflections	1.041
Goodness-of-fit parameter for significantly intense reflections	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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