Crystallography Open Database

Information card for entry 4102504

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Coordinates	4102504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 O5 S4
Calculated formula	C44 H54 O5 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	10.2502 ± 0.001 Å
b	16.2024 ± 0.0016 Å
c	13.2468 ± 0.0013 Å
α	90°
β	106.117 ± 0.002°
γ	90°
Cell volume	2113.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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