Crystallography Open Database

Information card for entry 7120604

7120603 << 7120604 >> 7120605

Preview

Coordinates	7120604.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	VLI-005B3
Chemical name	sarpong43
Formula	C18 H30 O4 Si
Calculated formula	C18 H30 O4 Si
SMILES	[C@@]12([C@@H](C=C(C[C@H]1CCC2=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC.[C@]12([C@H](C=C(C[C@@H]1CCC2=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC
Title of publication	Effect of protic additives in Cu-catalysed asymmetric Diels-Alder cycloadditions of doubly activated dienophiles: towards the synthesis of magellanine-type Lycopodium alkaloids
Authors of publication	Lindsay, Vincent; Murphy, Rebecca; Sarpong, Richmond
Journal of publication	Chem. Commun.
Year of publication	2017
a	6.9205 ± 0.0007 Å
b	7.0658 ± 0.0007 Å
c	20.0779 ± 0.0019 Å
α	81.664 ± 0.001°
β	80.281 ± 0.001°
γ	80.885 ± 0.001°
Cell volume	948.4 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
204147 (current)	2017-12-11	cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887.	7120604.cif
199992	2017-08-30	cif/ Adding structures of 7120603, 7120604, 7120605 via cif-deposit CGI script.	7120604.cif