Crystallography Open Database

Information card for entry 4028896

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Coordinates	4028896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 N8 O8 S2
Calculated formula	C28 H40 N8 O8 S2
Title of publication	Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures
Authors of publication	Asadi, Ali; Patrick, Brian O.; Perrin, David M.
Journal of publication	The Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Journal issue	2
Pages of publication	466 - 475
a	27.312 ± 0.002 Å
b	8.6717 ± 0.0005 Å
c	15.2589 ± 0.0008 Å
α	90°
β	113.221 ± 0.001°
γ	90°
Cell volume	3321.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0506
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	4022621
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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