Crystallography Open Database

Information card for entry 1548837

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Coordinates	1548837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Br2 O5
Calculated formula	C18 H24.0008 Br2 O5
Title of publication	Halogenated C15 Acetogenin Analogues of Obtusallene III from a Laurenciella sp. Collected in Corsica
Authors of publication	Sutour, Sylvain; Therrien, Bruno; von Reuss, Stephan H.; Tomi, Félix
Journal of publication	Journal of Natural Products
Year of publication	2018
a	4.7521 ± 0.0003 Å
b	25.2432 ± 0.0016 Å
c	17.1496 ± 0.0011 Å
α	90°
β	90.701 ± 0.005°
γ	90°
Cell volume	2057.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.139
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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