Crystallography Open Database

Information card for entry 7244753

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Coordinates	7244753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 O4
Calculated formula	C16 H20 O4
Title of publication	A molecular motor from lignocellulose
Authors of publication	Freese, Thomas; Fridrich, Bálint; Crespi, Stefano; Lubbe, Anouk S.; Barta, Katalin; Feringa, Ben L.
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	9
Pages of publication	3689 - 3696
a	11.0534 ± 0.0016 Å
b	11.594 ± 0.0017 Å
c	12.4153 ± 0.0018 Å
α	75.979 ± 0.005°
β	86.095 ± 0.005°
γ	73.276 ± 0.004°
Cell volume	1478.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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