Crystallography Open Database

Information card for entry 1552668

Preview

Coordinates	1552668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 O5
Calculated formula	C24 H38 O5
SMILES	O1[C@@]2(O)[C@]3([C@@H](C4=C(C(C)C)CC[C@@]4(CC3)C)C[C@@H]1[C@H]([C@H]2O)C1O[C@H]([C@H](O1)C)C)C
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	9.684 ± 0.003 Å
b	7.892 ± 0.002 Å
c	15.352 ± 0.004 Å
α	90°
β	95.198 ± 0.01°
γ	90°
Cell volume	1168.5 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1753
Residual factor for significantly intense reflections	0.1707
Weighted residual factors for significantly intense reflections	0.3812
Weighted residual factors for all reflections included in the refinement	0.3915
Goodness-of-fit parameter for all reflections included in the refinement	1.794
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
300101 (current)	2025-06-17	cif/1: Fixing Z values and formulae	1552668.cif
222193	2019-11-04	cif/ Adding structures of 1552668 via cif-deposit CGI script.	1552668.cif