Crystallography Open Database

Information card for entry 7118014

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Coordinates	7118014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H182 Au2 P2
Calculated formula	C114 H182 Au2 P2
Title of publication	Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers
Authors of publication	Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	16053
a	13.0821 ± 0.0009 Å
b	24.554 ± 0.0017 Å
c	17.7022 ± 0.0013 Å
α	90°
β	108.761 ± 0.004°
γ	90°
Cell volume	5384.1 ± 0.7 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 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	0.0574
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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