Crystallography Open Database

Information card for entry 7160375

Preview

Coordinates	7160375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 F2 N2 O6
Calculated formula	C17 H16 F2 N2 O6
Title of publication	Synthesis of selected plant metabolites of icafolin-methyl <i>via</i> the formation of a spirocyclic nitronate.
Authors of publication	Schulz, Göran; Maletz, Julia; Janisch, Pascal; Moczarski, Stefan; Ostrovskyi, Dmytro
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	11
Pages of publication	2726 - 2730
a	6.7401 ± 0.0005 Å
b	15.6633 ± 0.001 Å
c	16.0978 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1699.5 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
299134 (current)	2025-04-05	cif/ Updating files of 7160375, 7160376 Original log message: Adding full bibliography for 7160375--7160376.cif.	7160375.cif
297715	2025-02-13	cif/ Adding structures of 7160375, 7160376 via cif-deposit CGI script.	7160375.cif