Crystallography Open Database

Information card for entry 2103791

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Common name	Aplysinol
Formula	C15 Br O2
Calculated formula	C15 Br O2
SMILES	Brc1c(cc2O[C@]3([C@H](CC[C@]3(c2c1)C)C)CO)C
Title of publication	22 Space-group changes
Authors of publication	Clemente, Dore Augusto; Marzotto, Armando
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	43 - 50
a	13.75 ± 0.005 Å
b	13.75 ± 0.005 Å
c	7.319 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1383.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0093
Residual factor for significantly intense reflections	0.0085
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	0.308
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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