Crystallography Open Database

Information card for entry 4026882

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Coordinates	4026882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 O4
Calculated formula	C19 H24 O4
Title of publication	Total Syntheses of Angelicoin A, Hericenone J, and Hericenol A via Migratory Prenyl- and Geranylation-Aromatization Sequences
Authors of publication	Jens Cordes; Frederick Calo; Katie Anderson; Toni Pfaffeneder; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	652 - 657
a	7.8863 ± 0.0002 Å
b	23.7456 ± 0.0005 Å
c	9.0571 ± 0.0002 Å
α	90°
β	97.213 ± 0.003°
γ	90°
Cell volume	1682.65 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0689
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1367
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

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