Crystallography Open Database

Information card for entry 4509651

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Coordinates	4509651.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	05280
Formula	C23 H27 N4 O5 S
Calculated formula	C23 H27 N4 O5 S
Title of publication	Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks
Authors of publication	Soegiarto, Airon C.; Ward, Michael D.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3803
a	13.1383 ± 0.0014 Å
b	27.585 ± 0.003 Å
c	12.4518 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4512.8 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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