Crystallography Open Database

Information card for entry 4102505

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Coordinates	4102505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 I2 S4
Calculated formula	C24 H36 I2 S4
Title of publication	Conjugated Polymers That Respond to Oxidation with Increased Emission
Authors of publication	Eric L. Dane; Sarah B. King; Timothy M. Swager
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7758 - 7768
a	9.9066 ± 0.0007 Å
b	12.6542 ± 0.0009 Å
c	13.0668 ± 0.0009 Å
α	61.879 ± 0.001°
β	75.556 ± 0.001°
γ	76.302 ± 0.001°
Cell volume	1385.32 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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