Crystallography Open Database

Information card for entry 1508318

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Coordinates	1508318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 O
Calculated formula	C31 H24 O
Title of publication	Cascade Carbopalladation Reaction between Alkynes and gem-Dibromoolefins: Facile Access to Monoannelated Pentalenes.
Authors of publication	Rivera-Fuentes, Pablo; Rekowski, Margarete von Wantoch; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	4066 - 4069
a	25.324 ± 0.011 Å
b	25.324 Å
c	5.877 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3264 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	171
Hermann-Mauguin space group symbol	P 62
Hall space group symbol	P 62
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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