Crystallography Open Database

Information card for entry 7249812

Preview

Coordinates	7249812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N2 O3
Calculated formula	C22 H24 N2 O3
Title of publication	Amine-promoted three-component cycloaddition of bicyclo[1.1.0]butanes with hydroxylamine and polyformaldehyde: expedient access to 2-oxa-3-azabicyclo[3.1.1]heptanes
Authors of publication	Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	9
Pages of publication	2464 - 2470
a	11.2419 ± 0.0004 Å
b	12.3869 ± 0.0005 Å
c	13.4125 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1867.72 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298965 (current)	2025-04-05	cif/ Updating files of 7249811, 7249812 Original log message: Adding full bibliography for 7249811--7249812.cif.	7249812.cif
297400	2025-01-22	cif/ Adding structures of 7249811, 7249812 via cif-deposit CGI script.	7249812.cif