Crystallography Open Database

Information card for entry 1513241

Preview

Coordinates	1513241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 O3 Si
Calculated formula	C24 H44 O3 Si
SMILES	[Si](O[C@H]1C[C@@H]2[C@]3(CC[C@H](O)C(C)(C)[C@@H]3CC(=O)[C@H]2[C@H](C1)C)C)(C)(C)C(C)(C)C
Title of publication	Total synthesis of (+)-cassaine utilizing an anionic polycyclization strategy.
Authors of publication	Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	24
Pages of publication	6270 - 6273
a	14.8863 ± 0.0002 Å
b	25.4284 ± 0.0004 Å
c	6.6202 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2505.98 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513241.cif
92128	2014-01-12	cif/ Adding structures of 1513241 via cif-deposit CGI script.	1513241.cif