Crystallography Open Database

Information card for entry 7134223

Preview

Coordinates	7134223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O2
Calculated formula	C25 H25 N O2
Title of publication	Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.
Authors of publication	Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	18
Pages of publication	3704 - 3707
a	11.3577 ± 0.0014 Å
b	12.6655 ± 0.0016 Å
c	27.035 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3889 ± 0.8 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.064
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
298067 (current)	2025-03-04	cif/ Updating files of 7134221, 7134222, 7134223, 7134224, 7134225, 7134226 Original log message: Adding full bibliography for 7134221--7134226.cif.	7134223.cif
297576	2025-02-04	cif/ Adding structures of 7134221, 7134222, 7134223, 7134224, 7134225, 7134226 via cif-deposit CGI script.	7134223.cif