Crystallography Open Database

Information card for entry 4029965

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Coordinates	4029965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H66 Br2 O9 Si2
Calculated formula	C48 H66 Br2 O9 Si2
Title of publication	Total synthesis of the proposed structure of trichodermatide a.
Authors of publication	Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	20
Pages of publication	9812 - 9817
a	28.0291 ± 0.0006 Å
b	25.3002 ± 0.0005 Å
c	13.8427 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9816.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	0.816
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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