Crystallography Open Database

Information card for entry 7102402

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Coordinates	7102402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H102 O50
Calculated formula	C62 H83 O50.09
Title of publication	Synthesis of poly(para-phenylenevinylene) rotaxanes by aqueous Suzuki coupling.
Authors of publication	Terao, Jun; Tang, Andrew; Michels, Jasper J; Krivokapic, Alexander; Anderson, Harry L
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	1
Pages of publication	56 - 57
a	13.8627 ± 0.0003 Å
b	17.1623 ± 0.0003 Å
c	20.0027 ± 0.0004 Å
α	65.1372 ± 0.0007°
β	70.6427 ± 0.0007°
γ	66.0815 ± 0.0007°
Cell volume	3872.01 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.095
Weighted residual factors for all reflections	0.1387
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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