Crystallography Open Database

Information card for entry 4038775

Preview

Coordinates	4038775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 O7
Calculated formula	C25 H32 O7
Title of publication	Zoanthamine Alkaloid Derivatives from the Zoantharian <i>Zoanthus vietnamensis</i> with Antimetastatic Activity.
Authors of publication	Chen, Shu-Rong; Wang, Shih-Wei; Sheu, Jyh-Horng; Chang, Ting-Hsuan; Cheng, Yuan-Bin
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	19
Pages of publication	12553 - 12560
a	8.1574 ± 0.0004 Å
b	13.7272 ± 0.0006 Å
c	20.3329 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2276.84 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.221
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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