Crystallography Open Database

Information card for entry 7158436

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Coordinates	7158436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N6 O2
Calculated formula	C30 H30 N6 O2
Title of publication	Cu(OAc)<sub>2</sub>/DABCO-mediated domino reaction of vinyl malononitriles with cyclic sulfamidate imines: access to 6-hydroxyaryl-2-aminonicotinonitriles.
Authors of publication	Goud, S. Banuprakash; Guin, Soumitra; Prakash, Meher; Samanta, Sampak
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	2
Pages of publication	352 - 357
a	7.2949 ± 0.0002 Å
b	11.9167 ± 0.0002 Å
c	14.4321 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1254.6 ± 0.05 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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