Crystallography Open Database

Information card for entry 7133493

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Coordinates	7133493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 O2
Calculated formula	C26 H26 O2
Title of publication	Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.
Authors of publication	Yamada, Shinji; Honda, Yuka
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	72
Pages of publication	9821 - 9824
a	9.0741 ± 0.0004 Å
b	13.3976 ± 0.0005 Å
c	9.2157 ± 0.0003 Å
α	90°
β	115.37 ± 0.003°
γ	90°
Cell volume	1012.32 ± 0.07 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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