Crystallography Open Database

Information card for entry 4022162

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Coordinates	4022162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Br2 N4 O8 S
Calculated formula	C21 H24 Br2 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	7.1999 ± 0.0014 Å
b	12.537 ± 0.003 Å
c	15.479 ± 0.003 Å
α	83.58 ± 0.03°
β	76.79 ± 0.03°
γ	74.13 ± 0.03°
Cell volume	1306.7 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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