Crystallography Open Database

Information card for entry 4035437

Preview

Coordinates	4035437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 O6
Calculated formula	C38 H58 O6
Title of publication	Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.
Authors of publication	Bellavance, Gabriel; Barriault, Louis
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	13
Pages of publication	7215 - 7230
a	9.3158 ± 0.0002 Å
b	13.3076 ± 0.0003 Å
c	14.9944 ± 0.0003 Å
α	77.281 ± 0.001°
β	88.982 ± 0.001°
γ	76.424 ± 0.001°
Cell volume	1761.46 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0745
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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