Crystallography Open Database

Information card for entry 7120605

7120604 << 7120605 >> 7120606

Preview

Coordinates	7120605.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RMXII-193
Chemical name	sarpong59
Formula	C22 H33 N O3 Si
Calculated formula	C22 H33 N O3 Si
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	17.6138 ± 0.0008 Å
b	11.1045 ± 0.0005 Å
c	11.1829 ± 0.0005 Å
α	90°
β	93.906 ± 0.002°
γ	90°
Cell volume	2182.21 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7120605.cif
199992	2017-08-30	cif/ Adding structures of 7120603, 7120604, 7120605 via cif-deposit CGI script.	7120605.cif