Crystallography Open Database

Information card for entry 7127206

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Coordinates	7127206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Br N O
Calculated formula	C27 H26 Br N O
Title of publication	Assembly of polysubstituted chiral cyclopropylamines via highly enantioselective Cu-catalyzed three-component cyclopropene alkenylamination.
Authors of publication	Zhang, Yu; Li, Yuan; Zhou, Wei; Zhang, Mengru; Zhang, Qian; Jia, Ran; Zhao, Jinbo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	81
Pages of publication	12250 - 12253
a	9.6932 ± 0.0005 Å
b	10.7179 ± 0.0006 Å
c	21.842 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2269.2 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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