Crystallography Open Database

Information card for entry 7235564

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Coordinates	7235564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 O3
Calculated formula	C34 H30 O3
Title of publication	Borontribromide-mediated C‒C bond formation in cyclic ketones: a transition metal free approach
Authors of publication	Ahmad, Imran; Pathak, Vinay; Vasudev, Prema G.; Maurya, Hardesh K.; Gupta, Atul
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	47
Pages of publication	24619
a	9.9566 ± 0.0015 Å
b	10.2959 ± 0.0016 Å
c	13.2929 ± 0.0019 Å
α	74.756 ± 0.004°
β	76.427 ± 0.004°
γ	79.167 ± 0.004°
Cell volume	1266.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1563
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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