Crystallography Open Database

Information card for entry 7131708

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Coordinates	7131708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 N O
Calculated formula	C22 H23 N O
Title of publication	Dinuclear-gold-catalyzed cyclization of 1,7-enynes with alkyl bromides.
Authors of publication	Li, Jiajun; Zhai, Xinyi; Ji, Cheng-Long; Li, Weipeng; Xie, Jin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	51
Pages of publication	7943 - 7946
a	19.4725 ± 0.0006 Å
b	19.4725 ± 0.0006 Å
c	9.2892 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3522.3 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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