Crystallography Open Database

Information card for entry 7124710

Preview

Coordinates	7124710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 Br2 O4
Calculated formula	C23 H16 Br2 O4
Title of publication	Gold-catalysed facile access to indene scaffolds via sequential C-H functionalization and 5-endo-dig carbocyclization.
Authors of publication	Ma, Ben; Wu, Ziang; Huang, Ben; Liu, Lu; Zhang, Junliang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	60
Pages of publication	9351 - 9354
a	8.0971 ± 0.0003 Å
b	11.2035 ± 0.0004 Å
c	12.1077 ± 0.0004 Å
α	87.795 ± 0.001°
β	71.122 ± 0.001°
γ	74.233 ± 0.001°
Cell volume	998.7 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0366
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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