Crystallography Open Database

Information card for entry 1549093

Preview

Coordinates	1549093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 O7
Calculated formula	C30 H38 O7
SMILES	Oc1cc(O)c2c(O[C@]34[C@H](C2=O)[C@@H](OCC)[C@@H]2C[C@H]3C(O[C@]4(C2=O)CC=C(C)C)(C)C)c1C(C)(C)C=C.Oc1cc(O)c2c(O[C@@]34[C@@H](C2=O)[C@H](OCC)[C@H]2C[C@@H]3C(O[C@@]4(C2=O)CC=C(C)C)(C)C)c1C(C)(C)C=C
Title of publication	Bioassay- and Chemistry-Guided Isolation of Scalemic Caged Prenylxanthones from the Leaves of Garcinia bracteata
Authors of publication	Niu, Sheng-Li; Li, Da-Hong; Li, Xin-Yu; Wang, Yue-Tong; Li, Sheng-Ge; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming
Journal of publication	Journal of Natural Products
Year of publication	2018
a	14.317 ± 0.005 Å
b	8.341 ± 0.005 Å
c	22.569 ± 0.005 Å
α	90°
β	98.276 ± 0.005°
γ	90°
Cell volume	2667.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1734
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
207059 (current)	2018-03-23	cif/ Adding structures of 1549093 via cif-deposit CGI script.	1549093.cif