Crystallography Open Database

Information card for entry 1545754

Preview

Coordinates	1545754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 O8
Calculated formula	C30 H42 O8
SMILES	C(c1cc(c(cc1)O)OC)(c1c(cc(c(c1)O)O)C)c1c(cc(c(c1)O)O)C.C(C)OCC.C(C)OCC
Title of publication	Renewable Thermoplastics Based on Lignin-Derived Polyphenols
Authors of publication	Zhao, Shou; Abu-Omar, Mahdi M.
Journal of publication	Macromolecules
Year of publication	2017
a	8.6396 ± 0.0003 Å
b	16.1754 ± 0.0006 Å
c	10.6697 ± 0.0004 Å
α	90°
β	107.772 ± 0.0013°
γ	90°
Cell volume	1419.92 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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