Crystallography Open Database

Information card for entry 7126566

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Coordinates	7126566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 N3 O
Calculated formula	C28 H29 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	12.0096 ± 0.0013 Å
b	13.3196 ± 0.0014 Å
c	16.1216 ± 0.0017 Å
α	90°
β	109.131 ± 0.002°
γ	90°
Cell volume	2436.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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