Crystallography Open Database

Information card for entry 1566147

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Coordinates	1566147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 N2 O2
Calculated formula	C40 H38 N2 O2
Title of publication	Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds
Authors of publication	Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max
Journal of publication	Chemical Science
Year of publication	2022
a	10.4645 ± 0.0002 Å
b	12.4559 ± 0.0002 Å
c	12.5578 ± 0.0002 Å
α	107.272 ± 0.001°
β	102.991 ± 0.001°
γ	90.239 ± 0.001°
Cell volume	1518.6 ± 0.05 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0601
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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