Crystallography Open Database

Information card for entry 4515129

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Coordinates	4515129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 S8
Calculated formula	C29 H34 S8
Title of publication	Synthesis of Tetrathia-Oligothiophene Macrocycles.
Authors of publication	Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	2
Pages of publication	3405 - 3408
a	9.829 ± 0.0005 Å
b	15.0471 ± 0.0007 Å
c	21.1706 ± 0.0008 Å
α	90°
β	90.844 ± 0.001°
γ	90°
Cell volume	3130.7 ± 0.2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	3
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	0.06
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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