Crystallography Open Database

Information card for entry 1577266

Preview

Coordinates	1577266.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AU-120_am_250K
Formula	C20 H25 Cl Ir N O4
Calculated formula	C20 H25 Cl 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	8.2615 ± 0.0003 Å
b	8.3062 ± 0.0002 Å
c	15.5606 ± 0.0005 Å
α	92.22 ± 0.001°
β	97.44 ± 0.001°
γ	110.344 ± 0.001°
Cell volume	988.72 ± 0.05 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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