Crystallography Open Database

Information card for entry 7131922

7131921 << 7131922 >> 7131923

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Coordinates	7131922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N O2
Calculated formula	C22 H27 N O2
Title of publication	Lewis acid-catalyzed formal 1,3-aminomethyl migration
Authors of publication	Shibata, Suzuka; Amano, Koutarou; Kojima, Tatsuhiro; Mori, Keiji
Journal of publication	Chemical Communications
Year of publication	2023
a	23.9726 ± 0.0015 Å
b	10.7845 ± 0.0004 Å
c	18.1114 ± 0.0011 Å
α	90°
β	124.638 ± 0.009°
γ	90°
Cell volume	3852.5 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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