Crystallography Open Database

Information card for entry 7159412

Preview

Coordinates	7159412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O4
Calculated formula	C16 H19 N O4
Title of publication	Bicyclic <i>N</i>-dihalocyclopropylamide derivatives as precursors of nitrogen-containing fused polycyclic systems.
Authors of publication	Šlachtová, Veronika; Casaretto, Nicolas; Brulíková, Lucie; Six, Yvan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	31
Pages of publication	6325 - 6341
a	8.6585 ± 0.001 Å
b	6.8558 ± 0.0008 Å
c	12.0392 ± 0.0014 Å
α	90°
β	103.052 ± 0.004°
γ	90°
Cell volume	696.2 ± 0.14 Å³
Cell temperature	149.77 K
Ambient diffraction temperature	149.77 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159412.html