Crystallography Open Database

Information card for entry 7134224

Preview

Coordinates	7134224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Br N O5
Calculated formula	C34 H26 Br N O5
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	10.4122 ± 0.0006 Å
b	13.8828 ± 0.001 Å
c	19.5704 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2828.9 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7134224.cif
297576	2025-02-04	cif/ Adding structures of 7134221, 7134222, 7134223, 7134224, 7134225, 7134226 via cif-deposit CGI script.	7134224.cif