Crystallography Open Database

Information card for entry 8106542

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Coordinates	8106542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 O3
Calculated formula	C15 H24 O3
Title of publication	Crystal structure of 1α,11-dihydroxyeremophil-9-en-8-one, C15H24O3
Authors of publication	Morales, Glauco; Paredes, Adrián; Brito, Iván; Cárdenas, Alejandro
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	379 - 381
a	7.5352 ± 0.0002 Å
b	10.6639 ± 0.0003 Å
c	17.5406 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1409.47 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0344
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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