Crystallography Open Database

Information card for entry 4038547

Preview

Coordinates	4038547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 I O4
Calculated formula	C21 H31 I O4
Title of publication	Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.
Authors of publication	Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	14
Pages of publication	8952 - 8989
a	17.2644 ± 0.0004 Å
b	11.1326 ± 0.0003 Å
c	23.6238 ± 0.0005 Å
α	90°
β	110.142 ± 0.002°
γ	90°
Cell volume	4262.76 ± 0.18 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
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	0.0514
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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