Crystallography Open Database

Information card for entry 4035239

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Structure parameters

Formula	C25.75 H24.5 N3 O2.25
Calculated formula	C25.75 H24.5 N3 O2.25
Title of publication	Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.
Authors of publication	Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	19
Pages of publication	12007 - 12022
a	22.7789 ± 0.0015 Å
b	22.7789 ± 0.0015 Å
c	34.781 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	18047 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1994
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	0.802
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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