Crystallography Open Database

Information card for entry 4128756

Preview

Coordinates	4128756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 N O3 Si
Calculated formula	C20 H35 N O3 Si
SMILES	C[C@@H]1CN2C(=O)CC(=O)[C@]3([C@@H]2[C@@H]1CC3)CCCO[Si](C)(C)C(C)(C)C
Title of publication	Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.
Authors of publication	Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	21
Pages of publication	8431 - 8435
a	6.2765 ± 0.0001 Å
b	11.7617 ± 0.0002 Å
c	28.306 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2089.61 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0373
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
221826 (current)	2019-11-03	cif/ Adding structures of 4128756 via cif-deposit CGI script.	4128756.cif