Crystallography Open Database

Information card for entry 7063126

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Coordinates	7063126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 N4 O7
Calculated formula	C34 H40 N4 O7
Title of publication	Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions
Authors of publication	Bakija, Marija; Peric, Berislav; Kirin, Srećko I.
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	4.8579 ± 0.0001 Å
b	21.1948 ± 0.0004 Å
c	15.9374 ± 0.0003 Å
α	90°
β	91.905 ± 0.002°
γ	90°
Cell volume	1640.04 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0568
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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