Crystallography Open Database

Information card for entry 7134221

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Coordinates	7134221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 N O5
Calculated formula	C28 H23 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	11.9433 ± 0.001 Å
b	12.3276 ± 0.001 Å
c	20.132 ± 0.0017 Å
α	75.06 ± 0.001°
β	81.142 ± 0.001°
γ	75.914 ± 0.001°
Cell volume	2764.6 ± 0.4 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.1004
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.2243
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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