Crystallography Open Database

Information card for entry 7157777

Preview

Coordinates	7157777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 Cl N O2 Si
Calculated formula	C23 H34 Cl N O2 Si
SMILES	ClCC1=CCC[C@@]2(N(C(=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)Cc2ccccc2)C1
Title of publication	Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.
Authors of publication	Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	1
Pages of publication	259 - 272
a	9.2571 ± 0.0001 Å
b	8.0452 ± 0.0001 Å
c	16.5061 ± 0.0001 Å
α	90°
β	98.63 ± 0.0008°
γ	90°
Cell volume	1215.38 ± 0.02 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for all reflections	0.1072
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.0007
Diffraction radiation probe	x-ray
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
261758 (current)	2021-02-05	cif/ Updating files of 7157774, 7157775, 7157776, 7157777, 7157778, 7157779 Original log message: Adding full bibliography for 7157774--7157779.cif.	7157777.cif
259455	2020-12-02	cif/ Adding structures of 7157774, 7157775, 7157776, 7157777, 7157778, 7157779 via cif-deposit CGI script.	7157777.cif