Crystallography Open Database

Information card for entry 4022618

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Coordinates	4022618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Cl2 N10 O10
Calculated formula	C25.3345 H36.668 Cl0.99 N10 O10
Title of publication	Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures
Authors of publication	Ali Asadi; Brian O. Patrick; David M. Perrin
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	466 - 475
a	29.633 ± 0.002 Å
b	17.158 ± 0.001 Å
c	12.5526 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6382.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1957
Residual factor for significantly intense reflections	0.1001
Weighted residual factors for significantly intense reflections	0.2299
Weighted residual factors for all reflections included in the refinement	0.276
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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