Crystallography Open Database

Information card for entry 7128138

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Coordinates	7128138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N3 O5
Calculated formula	C22 H25 N3 O5
Title of publication	Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.
Authors of publication	Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	37
Pages of publication	4552 - 4555
a	9.5779 ± 0.0005 Å
b	11.3128 ± 0.0007 Å
c	11.849 ± 0.0008 Å
α	61.499 ± 0.007°
β	78.529 ± 0.005°
γ	86.047 ± 0.005°
Cell volume	1105.24 ± 0.14 Å³
Cell temperature	290 ± 4 K
Ambient diffraction temperature	290 ± 4 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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