Crystallography Open Database

Information card for entry 4036912

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Coordinates	4036912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 O6 S
Calculated formula	C22 H30 O6 S
Title of publication	Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.
Authors of publication	Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	14
Pages of publication	5963 - 5980
a	38.764 ± 0.004 Å
b	6.8408 ± 0.0007 Å
c	8.3667 ± 0.0008 Å
α	90°
β	91.32 ± 0.002°
γ	90°
Cell volume	2218.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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