Crystallography Open Database

Information card for entry 4060011

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Coordinates	4060011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H67 Cl O18
Calculated formula	C69 H67 Cl O18
Title of publication	Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes
Authors of publication	Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	26 - 27
a	14.09 ± 0.0001 Å
b	15.066 ± 0.0002 Å
c	18.405 ± 0.0002 Å
α	70.22 ± 0.001°
β	87.22 ± 0.001°
γ	84.14 ± 0.001°
Cell volume	3656.88 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.1366
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for all reflections	0.3839
Weighted residual factors for significantly intense reflections	0.346
Goodness-of-fit parameter for all reflections	1.033
Goodness-of-fit parameter for significantly intense reflections	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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