Crystallography Open Database

Information card for entry 4022163

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Coordinates	4022163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N4 O8 S
Calculated formula	C22 H26 N4 O8 S
Title of publication	Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation
Authors of publication	Michael Zöllinger; Peter Mayer; Thomas Lindel
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	9431 - 9439
a	24.4242 ± 0.0003 Å
b	12.9575 ± 0.0002 Å
c	15.6062 ± 0.0002 Å
α	90°
β	103.343 ± 0.0006°
γ	90°
Cell volume	4805.67 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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