Crystallography Open Database

Information card for entry 1558880

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Coordinates	1558880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 O4
Calculated formula	C21 H32 O4
Title of publication	Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.
Authors of publication	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	8
Pages of publication	2528 - 2536
a	7.7113 ± 0.0002 Å
b	10.3066 ± 0.0002 Å
c	12.1791 ± 0.0003 Å
α	90°
β	97.215 ± 0.001°
γ	90°
Cell volume	960.3 ± 0.04 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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