Crystallography Open Database

Information card for entry 7159400

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Coordinates	7159400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 N O4
Calculated formula	C21 H17 N O4
Title of publication	Ru(II) catalyzed chelation assisted C(sp<sup>2</sup>)-H bond functionalization along with concomitant (4 + 2) annulation.
Authors of publication	Sarkar, Anindita; Saha, Moumita; Das, Asish R.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	27
Pages of publication	5567 - 5586
a	8.2209 ± 0.0003 Å
b	8.5666 ± 0.0003 Å
c	13.7435 ± 0.0005 Å
α	81.561 ± 0.001°
β	75.998 ± 0.001°
γ	63.768 ± 0.001°
Cell volume	841.53 ± 0.05 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 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	0.0528
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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