Crystallography Open Database

Information card for entry 7242313

Preview

Coordinates	7242313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2 O3
Calculated formula	C15 H16 N2 O3
Title of publication	On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives
Authors of publication	Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	13
Pages of publication	2606 - 2622
a	6.3079 ± 0.0013 Å
b	10.573 ± 0.002 Å
c	11.415 ± 0.002 Å
α	67.21 ± 0.03°
β	78.84 ± 0.03°
γ	76.16 ± 0.03°
Cell volume	677.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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/7242313.html