Crystallography Open Database

Information card for entry 1563816

Preview

Coordinates	1563816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 O8
Calculated formula	C18 H20 O8
Title of publication	Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine
Authors of publication	Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun
Journal of publication	Chemical Science
Year of publication	2021
a	8.281 ± 0.0004 Å
b	26.6332 ± 0.0013 Å
c	8.0706 ± 0.0004 Å
α	90°
β	104.3 ± 0.001°
γ	90°
Cell volume	1724.82 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.4 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	0.0926
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2789
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.202
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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