Crystallography Open Database

Information card for entry 4035238

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Coordinates	4035238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.25 H30.5 Cl0.5 N2 O4
Calculated formula	C30.25 H30.5 Cl0.5 N2 O4
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	11.156 ± 0.002 Å
b	11.714 ± 0.002 Å
c	21.91 ± 0.004 Å
α	85.73 ± 0.03°
β	80.75 ± 0.03°
γ	73.09 ± 0.03°
Cell volume	2702.6 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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