Crystallography Open Database

Information card for entry 1520380

1520379 << 1520380 >> 1520381

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Structure parameters

Formula	C26 H34 O6
Calculated formula	C26 H34 O6
SMILES	O1[C@@]2([C@@H](Cc3c4C[C@@H](O)CC(=O)c4c(O)cc13)[C@@]1([C@@H](CC2)C(C)(C(=O)C=C1)C)C)C.OC
Title of publication	Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24.
Authors of publication	Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	6
Pages of publication	1442 - 1445
a	8.1342 ± 0.0001 Å
b	18.9651 ± 0.0002 Å
c	15.1089 ± 0.0001 Å
α	90°
β	102.491 ± 0.001°
γ	90°
Cell volume	2275.62 ± 0.04 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 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	0.0323
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520380.cif
141362	2015-07-09	cif/ Updating files of 1520379, 1520380 Original log message: Adding full bibliography for 1520379--1520380.cif.	1520380.cif
138406	2015-06-06	cif/ Adding structures of 1520380 via cif-deposit CGI script.	1520380.cif