Crystallography Open Database

Information card for entry 7133993

Preview

Coordinates	7133993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 N O2
Calculated formula	C31 H23 N O2
Title of publication	Pd(II)-catalyzed regioselective ring opening/[3+2] annulation reaction of enaminones with cyclopropenones: divergent synthesis of γ-butenolides and γ-lactams.
Authors of publication	Zhang, Zhilai; Xu, Yu; Peng, Menglin; Song, Siyu; Wei, Yuanzheng; Hu, Huimin; Wang, Xiuju; Yu, Fuchao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	100
Pages of publication	14968 - 14971
a	26.0297 ± 0.0016 Å
b	5.9625 ± 0.0003 Å
c	15.3428 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2381.2 ± 0.2 Å³
Cell temperature	303 K
Ambient diffraction temperature	303 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297091 (current)	2025-01-06	cif/ Updating files of 7133991, 7133992, 7133993 Original log message: Adding full bibliography for 7133991--7133993.cif.	7133993.cif
296065	2024-11-23	cif/ Adding structures of 7133991, 7133992, 7133993 via cif-deposit CGI script.	7133993.cif