Crystallography Open Database

Information card for entry 7160029

Preview

Coordinates	7160029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Br2 O2
Calculated formula	C23 H18 Br2 O2
Title of publication	Brønsted acid catalyzed [4 + 2] cycloaddition for the synthesis of bisbenzannulated spiroketals with antifungal activities.
Authors of publication	Hu, Teng; Zhao, Yuxuan; Luo, Xiaoyan; Li, Zhong; Yang, Wu-Lin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	23
Pages of publication	4656 - 4661
a	10.2643 ± 0.0005 Å
b	9.0256 ± 0.0005 Å
c	21.2231 ± 0.0013 Å
α	90°
β	94.116 ± 0.002°
γ	90°
Cell volume	1961.07 ± 0.19 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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