Crystallography Open Database

Information card for entry 4134726

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Coordinates	4134726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N O8
Calculated formula	C17 H25 N O8
Title of publication	Stereocontrolled Synthesis of (-)-Bactobolin A.
Authors of publication	Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7306 - 7311
a	24.6919 ± 0.0015 Å
b	7.6839 ± 0.0004 Å
c	9.7357 ± 0.0006 Å
α	90°
β	91.381 ± 0.006°
γ	90°
Cell volume	1846.62 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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