Crystallography Open Database

Information card for entry 7157257

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Coordinates	7157257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N5 O5
Calculated formula	C23 H23 N5 O5
Title of publication	Bifunctional squaramide catalyzed stereoselective Mannich reaction of α-azido ketones with isatin-derived ketimines.
Authors of publication	Karahan, Seda; Tanyeli, Cihangir
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	3
Pages of publication	479 - 487
a	10.245 ± 0.0002 Å
b	10.9607 ± 0.0002 Å
c	11.1338 ± 0.0007 Å
α	74.014 ± 0.005°
β	74.695 ± 0.005°
γ	72.702 ± 0.005°
Cell volume	1124.73 ± 0.09 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0633
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.0697
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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