Crystallography Open Database

Information card for entry 4108940

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Coordinates	4108940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H62 N2 O8 Si2
Calculated formula	C43 H62 N2 O8 Si2
Title of publication	A Robust Platform for the Synthesis of New Tetracycline Antibiotics
Authors of publication	Cuixiang Sun; Qiu Wang; Jason D. Brubaker; Peter M. Wright; Christian D. Lerner; Kevin Noson; Mark Charest; Dionicio R. Siegel; Yi-Ming Wang; Andrew G. Myers
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17913 - 17927
a	13.116 ± 0.003 Å
b	11.381 ± 0.002 Å
c	15.075 ± 0.003 Å
α	90°
β	97.42 ± 0.005°
γ	90°
Cell volume	2231.4 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	0.757
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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