Crystallography Open Database

Information card for entry 1550997

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Structure parameters

Formula	C34 H42 S4
Calculated formula	C34 H42 S4
Title of publication	β-Strand Inspired Bifacial π-Conjugated Polymers
Authors of publication	Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna
Journal of publication	Chemical Science
Year of publication	2019
a	21.3616 ± 0.0017 Å
b	9.0556 ± 0.0007 Å
c	15.3872 ± 0.0012 Å
α	90°
β	94.439 ± 0.003°
γ	90°
Cell volume	2967.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0603
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1550997.cif
215021	2019-05-10	cif/ Adding structures of 1550997, 1550998, 1550999 via cif-deposit CGI script.	1550997.cif