Crystallography Open Database

Information card for entry 7111343

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Coordinates	7111343.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2e
Formula	C67 H75 N17 O3
Calculated formula	C65.4435 H66.0705 N16.0715 O3
Title of publication	A C3-symmetric molecular scaffold for the construction of large receptors
Authors of publication	Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	18
Pages of publication	2044 - 2045
a	22.2326 ± 0.0001 Å
b	22.2326 ± 0.0001 Å
c	22.2326 ± 0.0001 Å
α	36.035 ± 0.001°
β	36.035 ± 0.001°
γ	36.035 ± 0.001°
Cell volume	3401.81 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :R
Hall space group symbol	P 3*
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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