Crystallography Open Database

Information card for entry 7239490

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Coordinates	7239490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N4 O6
Calculated formula	C16 H16 N4 O6
Title of publication	Synthesis of interesting β-nitrohydrazides through a thiourea organocatalysed aza-Michael addition
Authors of publication	Alcaine, Ana; Marqués-López, Eugenia; Herrera, Raquel P.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	19
Pages of publication	9856
a	5.0171 ± 0.0002 Å
b	16.1781 ± 0.0006 Å
c	10.3154 ± 0.0004 Å
α	90°
β	102.463 ± 0.002°
γ	90°
Cell volume	817.54 ± 0.06 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0617
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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