Crystallography Open Database

Information card for entry 4128757

Preview

Coordinates	4128757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43 N O3 Si
Calculated formula	C27 H43 N O3 Si
SMILES	C1C(=O)C=C2[C@@H]1CC[C@H]1[C@H]2N2C[C@@H](C)[C@H]3CC[C@]([C@@H]23)(C1=O)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	8.19798 ± 0.00005 Å
b	7.89375 ± 0.00004 Å
c	20.23662 ± 0.0001 Å
α	90°
β	99.2147 ± 0.0005°
γ	90°
Cell volume	1292.67 ± 0.012 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
221827 (current)	2019-11-03	cif/ Adding structures of 4128757 via cif-deposit CGI script.	4128757.cif