Crystallography Open Database

Information card for entry 1567734

Preview

Coordinates	1567734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 F6 N O4 Si
Calculated formula	C26 H39 F6 N O4 Si
SMILES	[Si](C1=C[C@@H]([C@H]2C(=CN(C)[C@](OC(C(F)(F)F)C(F)(F)F)(C2=O)C1)C(=O)OC)CCCCCCCC)(C)(C)C.[Si](C1=C[C@H]([C@@H]2C(=CN(C)[C@@](OC(C(F)(F)F)C(F)(F)F)(C2=O)C1)C(=O)OC)CCCCCCCC)(C)(C)C
Title of publication	Oxidative bridgehead functionalization of (4 + 3) cycloadducts obtained from oxidopyridinium ions
Authors of publication	Sungnoi, Wanna; Harmata, Michael
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	44
Pages of publication	28572 - 28575
a	7.2552 ± 0.0002 Å
b	13.8552 ± 0.0004 Å
c	15.7314 ± 0.0005 Å
α	105.333 ± 0.0016°
β	99.3403 ± 0.0019°
γ	101.607 ± 0.0017°
Cell volume	1454.49 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1567734.cif
278469	2022-10-07	cif/ Adding structures of 1567734 via cif-deposit CGI script.	1567734.cif