Crystallography Open Database

Information card for entry 1577268

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Coordinates	1577268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 Cl3 Ir N O4
Calculated formula	C23 H31 Cl3 Ir N O4
Title of publication	Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines
Authors of publication	Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose
Journal of publication	Chemical Science
Year of publication	2026
a	11.8303 ± 0.0001 Å
b	11.6192 ± 0.0001 Å
c	18.9685 ± 0.0001 Å
α	90°
β	94.874 ± 0.001°
γ	90°
Cell volume	2597.96 ± 0.03 Å³
Cell temperature	250 ± 0.1 K
Ambient diffraction temperature	250 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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