Crystallography Open Database

Information card for entry 7150171

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Coordinates	7150171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H193.5 O35.5
Calculated formula	C124.7 H177.6 O35.6
Title of publication	A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.
Authors of publication	Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic
Journal of publication	Organic & biomolecular chemistry
Year of publication	2005
Journal volume	3
Journal issue	14
Pages of publication	2588 - 2592
a	16.378 ± 0.0003 Å
b	27.7666 ± 0.0004 Å
c	30.3256 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	13790.9 ± 0.4 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1472
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2537
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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