Crystallography Open Database

Information card for entry 1552572

Preview

Coordinates	1552572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 F3 N O9
Calculated formula	C32 H39 F3 N O9
SMILES	O1[C@H]2C[N+]3[C@@]1(C[C@H](C2)C)CC[C@@]1(C=3[C@@H](O)[C@@]23[C@@H]4C[C@](OC3)(CC(=O)[C@@H]4[C@H](C(=O)[C@@H]2[C@@]21CC(=O)OC2)C)C)C.FC(F)(F)C(=O)[O-]
Title of publication	Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.
Authors of publication	Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	10
Pages of publication	2790 - 2799
a	11.4676 ± 0.0005 Å
b	11.4676 ± 0.0005 Å
c	38.8463 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	4424.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.1894
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.2633
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222093 (current)	2019-11-04	cif/ Adding structures of 1552572 via cif-deposit CGI script.	1552572.cif