Crystallography Open Database

Information card for entry 7133319

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Coordinates	7133319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H30 N2 O5
Calculated formula	C35 H30 N2 O5
Title of publication	Co(III)-catalyzed regioselective benzannulation of substituted pyridones with 1,6-diynes <i>via</i> dual C-H bond activation.
Authors of publication	Yadav, Suresh Kumar; Jeganmohan, Masilamani
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	63
Pages of publication	8296 - 8299
a	11.1034 ± 0.0004 Å
b	11.1882 ± 0.0005 Å
c	12.5867 ± 0.0005 Å
α	70.9583 ± 0.0019°
β	87.9029 ± 0.0019°
γ	71.6281 ± 0.0018°
Cell volume	1398.89 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0886
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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