Crystallography Open Database

Information card for entry 7203955

7203954 << 7203955 >> 7203956

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Coordinates	7203955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H130 Cl2 O10
Calculated formula	C97 H120 Cl2 O10
Title of publication	Interplay between cone and partial-cone geometry in doubly-bridged calix[8]arenes investigated by X-ray and 2D NMR
Authors of publication	Geraci, Corrada; Bottino, Alessandra; Piattelli, Mario; Gavuzzo, Enrico; Neri, Placido
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2000
Journal issue	2
Pages of publication	185
a	17.739 Å
b	21.05 Å
c	16.878 Å
α	108.7°
β	103.6°
γ	72.7°
Cell volume	5631.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.147
Weighted residual factors for all reflections	0.154
Weighted residual factors for significantly intense reflections	0.154
Goodness-of-fit parameter for all reflections	1.126
Goodness-of-fit parameter for significantly intense reflections	1.126
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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