Crystallography Open Database

Information card for entry 4128615

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Coordinates	4128615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 O3
Calculated formula	C16 H22 O3
Title of publication	A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.
Authors of publication	Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	31
Pages of publication	12246 - 12250
a	12.1239 ± 0.0008 Å
b	13.1282 ± 0.0009 Å
c	14.4151 ± 0.001 Å
α	87.304 ± 0.0009°
β	75.4289 ± 0.0009°
γ	76.0963 ± 0.0009°
Cell volume	2155.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0882
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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