Crystallography Open Database

Information card for entry 7102530

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Coordinates	7102530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H201 Cl3 O61 P2
Calculated formula	C121 H191 Cl3 O59.5 P2
Title of publication	Diastereospecific synthesis of phosphinidene-capped cyclodextrins leading to "introverted" ligands.
Authors of publication	Engeldinger, Eric; Poorters, Laurent; Armspach, Dominique; Matt, Dominique; Toupet, Loïc
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	6
Pages of publication	634 - 635
a	14.8015 ± 0.0001 Å
b	29.1555 ± 0.0003 Å
c	17.1807 ± 0.0002 Å
α	90°
β	99.33 ± 0.001°
γ	90°
Cell volume	7316.16 ± 0.12 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2105
Weighted residual factors for all reflections included in the refinement	0.2477
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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