Crystallography Open Database

Information card for entry 4103136

Preview

Coordinates	4103136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 Br N3 O4
Calculated formula	C35 H39.5 Br N3 O4
Title of publication	Total Synthesis and Absolute Stereochemical Assignment of (-)-Communesin F
Authors of publication	Zhiwei Zuo; Weiqing Xie; Dawei Ma
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13226 - 13228
a	8.1081 ± 0.0005 Å
b	20.472 ± 0.0013 Å
c	19.2978 ± 0.0013 Å
α	90°
β	92.273 ± 0.001°
γ	90°
Cell volume	3200.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1061
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	0.742
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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