Crystallography Open Database

Information card for entry 1558008

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Structure parameters

Formula	C22 H34 O6
Calculated formula	C22 H34 O6
SMILES	O[C@H]1/C(=C/CC/C(=C\[C@H]2[C@H](C1)C(=C)CC[C@H]2C(C)C)C(=O)OC)C(=O)O.OC
Title of publication	<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.
Authors of publication	Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	5
Pages of publication	1641 - 1645
a	9.2746 ± 0.0003 Å
b	10.2656 ± 0.0003 Å
c	22.5834 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2150.15 ± 0.12 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558008.cif
252621	2020-06-04	cif/ Updating files of 1558007, 1558008 Original log message: Adding full bibliography for 1558007--1558008.cif.	1558008.cif
251780	2020-05-06	cif/ Adding structures of 1558008 via cif-deposit CGI script.	1558008.cif