Crystallography Open Database

Information card for entry 7126565

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Coordinates	7126565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Br N3 O
Calculated formula	C28 H28 Br N3 O
Title of publication	Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.
Authors of publication	Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	53
Pages of publication	7265 - 7268
a	11.3631 ± 0.0006 Å
b	20.5225 ± 0.0009 Å
c	11.963 ± 0.0005 Å
α	90°
β	117.897 ± 0.002°
γ	90°
Cell volume	2465.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1313
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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