Crystallography Open Database

Information card for entry 4115308

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Coordinates	4115308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H74 N6 O18
Calculated formula	C55 H74 N6 O18
Title of publication	The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly
Authors of publication	Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13686 - 13687
a	12.342 ± 0.001 Å
b	15.898 ± 0.001 Å
c	15.526 ± 0.001 Å
α	103.9 ± 0.01°
β	106.24 ± 0.01°
γ	97 ± 0.01°
Cell volume	2780.2 ± 0.4 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 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	0.1197
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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