Crystallography Open Database

Information card for entry 7133833

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Coordinates	7133833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N3 O2
Calculated formula	C23 H23 N3 O2
Title of publication	Photoredox cross-dehydrogenative C(sp<sup>2</sup>)-C(sp<sup>3</sup>) coupling of heteroarenes with secondary amines through 1,5-HAT.
Authors of publication	Srinivasu, Vinjamuri; Pattanaik, Swadhin; Sureshkumar, Devarajulu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	72
Pages of publication	9757 - 9760
a	9.4621 ± 0.0013 Å
b	9.9741 ± 0.0014 Å
c	11.4369 ± 0.0015 Å
α	71.12 ± 0.004°
β	86.589 ± 0.004°
γ	79.453 ± 0.004°
Cell volume	1004 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.1658
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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