Crystallography Open Database

Information card for entry 7160609

Preview

Coordinates	7160609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 O4
Calculated formula	C19 H26 O4
Title of publication	First stereoselective approach for structure revision of nagiol and syntheses of 2,3-dihydroxyferruginol and ferruginol.
Authors of publication	Surendran, Sravya; Ramachandran, Arathi; Goreti, Rajendar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	29
Pages of publication	6924 - 6930
a	6.8089 ± 0.0003 Å
b	15.0295 ± 0.0006 Å
c	35.998 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3683.8 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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