Crystallography Open Database

Information card for entry 7134813

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Coordinates	7134813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 Br O2
Calculated formula	C24 H21 Br O2
Title of publication	Catalytic Asymmetric Construction of Planarly and Centrally Chiral [2.2]paracyclophanes by Merging Photochemical and Cobalt Catalyzed Desymmetrization
Authors of publication	Zhang, Ke-Feng; Zhou, Lin-Hui; Chen, Yan-Xi; Chen, Wei-Wei; Feng, Yuan-Mei; Ma, Fang
Journal of publication	Chemical Communications
Year of publication	2025
a	7.815 ± 0.0003 Å
b	7.9476 ± 0.0003 Å
c	8.2858 ± 0.0003 Å
α	70.783 ± 0.001°
β	77.901 ± 0.001°
γ	89.307 ± 0.002°
Cell volume	474.26 ± 0.03 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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