Crystallography Open Database

Information card for entry 7120255

7120254 << 7120255 >> 7120256

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Coordinates	7120255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N2 O5.25
Calculated formula	C24.84 H26.96 N2 O5.36
Title of publication	Three-Component Reactions of Isocyanoacetates, Amines and 3-Formylchromones Initiated by An Unexpected Aza-Michael Addition
Authors of publication	Liao, Jia-Yu; Yap, Wei Jie; Wu, Ji'En; Wong, Ming Wah; Zhao, Yu
Journal of publication	Chem. Commun.
Year of publication	2017
a	3.8268 ± 0.0002 Å
b	31.4297 ± 0.0012 Å
c	17.1304 ± 0.0007 Å
α	90°
β	92.251 ± 0.001°
γ	90°
Cell volume	2058.77 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2745
Weighted residual factors for all reflections included in the refinement	0.2815
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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