Crystallography Open Database

Information card for entry 7134143

Preview

Coordinates	7134143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 N O3
Calculated formula	C29 H25 N O3
Title of publication	Lewis acid-catalyzed [2π+2σ] cycloaddition of dihydropyridines with bicyclobutanes.
Authors of publication	Liang, Yujie; Nematswerani, Ronewa; Daniliuc, Constantin G.; Glorius, Frank
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	10
Pages of publication	2091 - 2094
a	10.2511 ± 0.0003 Å
b	10.3159 ± 0.0003 Å
c	12.0215 ± 0.0003 Å
α	106.412 ± 0.001°
β	105.636 ± 0.001°
γ	103.988 ± 0.001°
Cell volume	1102.62 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0501
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297989 (current)	2025-03-04	cif/ Updating files of 7134143 Original log message: Adding full bibliography for 7134143.cif.	7134143.cif
297194	2025-01-08	cif/ Adding structures of 7134143 via cif-deposit CGI script.	7134143.cif