Crystallography Open Database

Information card for entry 7155360

Preview

Coordinates	7155360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H46 O4 Si
Calculated formula	C29 H46 O4 Si
SMILES	[Si](O[C@@H]1C(C)([C@H]2[C@](C)(CC1)[C@]1(Oc3c(c(O)c(c(c3)C)C=O)C1)[C@H](C)CC2)C)(C(C)(C)C)(C)C
Title of publication	Enantiospecific total syntheses of meroterpenoids (-)-F1839-I and (-)-corallidictyals B and D.
Authors of publication	Dethe, Dattatraya H.; Dherange, Balu D.; Ali, Saghir; Parsutkar, Mahesh M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	15
Journal issue	1
Pages of publication	65 - 68
a	7.1072 ± 0.0005 Å
b	13.7421 ± 0.0011 Å
c	27.891 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2724.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0401
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191756 (current)	2017-02-04	cif/ Updating files of 7155360 Original log message: Adding full bibliography for 7155360.cif.	7155360.cif
188394	2016-11-11	cif/ Adding structures of 7155360 via cif-deposit CGI script.	7155360.cif