Crystallography Open Database

Information card for entry 1552669

Preview

Coordinates	1552669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H115 Cl9 O16
Calculated formula	C20 H28 O4
SMILES	O=C(O)C1=C[C@]2(O[C@@H]1C[C@H]1[C@]2(CC[C@@]2(C1=C(CC2)C(C)C)C)C)O
Title of publication	Cyathane Diterpenes from Cultures of the Bird's Nest Fungus Cyathus hookeri and Their Neurotrophic and Anti-neuroinflammatory Activities.
Authors of publication	Tang, Dan; Xu, Yuan-Zhen; Wang, Wei-Wei; Yang, Zhi; Liu, Bo; Stadler, Marc; Liu, Ling-Li; Gao, Jin-Ming
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	6
Pages of publication	1599
a	14.1618 ± 0.0013 Å
b	15.0341 ± 0.0014 Å
c	20.4035 ± 0.0018 Å
α	90°
β	96.33 ± 0.003°
γ	90°
Cell volume	4317.6 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2893
Weighted residual factors for all reflections included in the refinement	0.2935
Goodness-of-fit parameter for all reflections included in the refinement	1.459
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222194 (current)	2019-11-04	cif/ Adding structures of 1552669 via cif-deposit CGI script.	1552669.cif