Crystallography Open Database

Information card for entry 1559882

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Structure parameters

Common name	1
Chemical name	17F4
Formula	C20 H26 O3
Calculated formula	C20 H26 O3
SMILES	C1(=O)C[C@@H]2[C@@](C3=C1C[C@H](C1=CCOC1=O)C3)(CCCC2(C)C)C
Title of publication	Boesenmaxane Diterpenoids from Boesenbergia maxwellii
Authors of publication	Moe, The S.; Chaturonrutsamee, Suppisak; Bunteang, Samreang; Kuhakarn, Chutima; Prabpai, Samran; Surawatanawong, Panida; Chairoungdua, Arthit; Suksen, Kanoknetr; Akkarawongsapat, Radeekorn; Limthongkul, Jitra; Napaswad, Chanita; Nuntasaen, Narong; Reutrakul, Vichai
Journal of publication	Journal of Natural Products
Year of publication	2020
a	7.6151 ± 0.0002 Å
b	12.9911 ± 0.0004 Å
c	17.461 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1727.39 ± 0.09 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0747
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	1559882.cif
260215	2020-12-30	cif/ Adding structures of 1559882 via cif-deposit CGI script.	1559882.cif