Crystallography Open Database

Information card for entry 4029309

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Coordinates	4029309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 N2 O3 S
Calculated formula	C21 H32 N2 O3 S
Title of publication	Natural Tetraponerines: A General Synthesis and Antiproliferative Activity.
Authors of publication	Bosque, Irene; Gonzalez-Gomez, Jose C; Loza, María Isabel; Brea, José
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	9
Pages of publication	3982 - 3991
a	9.0021 ± 0.001 Å
b	14.9816 ± 0.0018 Å
c	16.5464 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2231.5 ± 0.4 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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