Crystallography Open Database

Information card for entry 1565150

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Coordinates	1565150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 O5
Calculated formula	C22 H22 N2 O5
Title of publication	Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives
Authors of publication	Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin
Journal of publication	Chemical Science
Year of publication	2021
a	7.5481 ± 0.0002 Å
b	11.4787 ± 0.0003 Å
c	12.3488 ± 0.0004 Å
α	64.2362 ± 0.0013°
β	78.0893 ± 0.0013°
γ	87.4663 ± 0.0015°
Cell volume	941.57 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0606
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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