Crystallography Open Database

Information card for entry 4101665

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Coordinates	4101665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 Br O4
Calculated formula	C13.3 H17.6 Br0.65 O4
Title of publication	Chemical and biological studies of nakiterpiosin and nakiterpiosinone.
Authors of publication	Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	371 - 383
a	5.7276 ± 0.0002 Å
b	10.5267 ± 0.0006 Å
c	22.9283 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1382.41 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.0548
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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