Crystallography Open Database

Information card for entry 7134552

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Coordinates	7134552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 Br O4
Calculated formula	C35 H27 Br O4
Title of publication	Highly regio- and diastereoselective (3+3)-cycloannulation of carbonyl ylides and 2-(1-alkynyl)-2-alken-1-ones enabled by silver catalysis
Authors of publication	Barman, Jyotish; Pan, Subhas Chandra
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	50
Pages of publication	9119 - 9122
a	17.213 ± 0.005 Å
b	7.777 ± 0.002 Å
c	25.463 ± 0.007 Å
α	90°
β	105.237 ± 0.008°
γ	90°
Cell volume	3288.8 ± 1.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.0244
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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