Crystallography Open Database

Information card for entry 7063130

Preview

Coordinates	7063130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 N2 O6
Calculated formula	C16 H20 N2 O6
Title of publication	Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions
Authors of publication	Bakija, Marija; Perić, Berislav; Kirin, Srećko I.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	19
Pages of publication	8702 - 8719
a	6.4358 ± 0.0002 Å
b	8.0804 ± 0.0003 Å
c	16.438 ± 0.0006 Å
α	90°
β	98.198 ± 0.003°
γ	90°
Cell volume	846.1 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
293207 (current)	2024-07-05	cif/ Updating files of 7063124, 7063125, 7063126, 7063127, 7063128, 7063129, 7063130, 7063131, 7063132, 7063133, 7063134 Original log message: Adding full bibliography for 7063124--7063134.cif.	7063130.cif
291129	2024-04-06	cif/ Adding structures of 7063124, 7063125, 7063126, 7063127, 7063128, 7063129, 7063130, 7063131, 7063132, 7063133, 7063134 via cif-deposit CGI script.	7063130.cif