Crystallography Open Database

Information card for entry 1576019

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Coordinates	1576019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N O2
Calculated formula	C23 H19 N O2
Title of publication	Ligand-controlled divergent enantioselective hydroarylation of cyclobutenes.
Authors of publication	Pan, Renming; Zhu, Jie; Zhou, Xinjie; Wang, Minyan; Lu, Ping
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	45
Pages of publication	21498 - 21507
a	6.2724 ± 0.0001 Å
b	12.6137 ± 0.0001 Å
c	22.639 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1791.16 ± 0.04 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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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