Crystallography Open Database

Information card for entry 4107303

Preview

Coordinates	4107303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.5 H22 B2 N O6.25
Calculated formula	C13.5 H22 B2 N O6.25
Title of publication	Simple, Efficient, and Modular Syntheses of Polyene Natural Products via Iterative Cross-Coupling
Authors of publication	Suk Joong Lee; Kaitlyn C. Gray; James S. Paek; Martin D. Burke
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	466 - 468
a	6.9032 ± 0.0014 Å
b	16.06 ± 0.003 Å
c	16.51 ± 0.003 Å
α	87.714 ± 0.012°
β	84.74 ± 0.011°
γ	80.831 ± 0.012°
Cell volume	1798.8 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2781
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2804
Goodness-of-fit parameter for all reflections included in the refinement	1.345
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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