Crystallography Open Database

Information card for entry 1555168

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Coordinates	1555168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N2 O6 Si
Calculated formula	C19 H18 N2 O6 Si
SMILES	[Si]1(C(=CC(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C1)c1ccccc1)(C)C
Title of publication	Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes
Authors of publication	Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	22
Pages of publication	3793
a	10.8289 ± 0.0002 Å
b	10.4035 ± 0.0002 Å
c	17.1866 ± 0.0003 Å
α	90°
β	103.19 ± 0.002°
γ	90°
Cell volume	1885.14 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
238364 (current)	2019-11-24	cif/ Adding structures of 1555168, 1555169 via cif-deposit CGI script.	1555168.cif