Crystallography Open Database

Information card for entry 7249811

Preview

Coordinates	7249811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 N2 O2
Calculated formula	C26 H26 N2 O2
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	7.8217 ± 0.0003 Å
b	28.8712 ± 0.001 Å
c	10.016 ± 0.0003 Å
α	90°
β	109.4 ± 0.001°
γ	90°
Cell volume	2133.41 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249811.html