Crystallography Open Database

Information card for entry 7134225

Preview

Coordinates	7134225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N O3
Calculated formula	C27 H27 N O3
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	10.0943 ± 0.0006 Å
b	12.4294 ± 0.0008 Å
c	18.1764 ± 0.0013 Å
α	85.359 ± 0.002°
β	80.756 ± 0.002°
γ	85.323 ± 0.002°
Cell volume	2238.1 ± 0.3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.0887
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7134225.cif
297576	2025-02-04	cif/ Adding structures of 7134221, 7134222, 7134223, 7134224, 7134225, 7134226 via cif-deposit CGI script.	7134225.cif