Crystallography Open Database

Information card for entry 7129644

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Coordinates	7129644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N O5
Calculated formula	C22 H25 N O5
Title of publication	Enantioselective Peroxidation of C-Alkynyl Imines Enabled by Chiral BINOL Calcium Phosphate
Authors of publication	Sun, Zhongwen; Chen, Lijun; Qiu, Kai-Xiong; Liu, Bo; Li, Hongtao; Yu, Fang
Journal of publication	Chemical Communications
Year of publication	2022
a	9.7745 ± 0.0014 Å
b	9.5549 ± 0.0014 Å
c	11.5736 ± 0.0017 Å
α	90°
β	91.267 ± 0.009°
γ	90°
Cell volume	1080.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1146
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.237
Weighted residual factors for all reflections included in the refinement	0.2647
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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