Crystallography Open Database

Information card for entry 4023559

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Coordinates	4023559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C252 H303 N48 O83.5
Calculated formula	C252.04 H303.1 N48 O83.5
Title of publication	Self-Sorting Molecular Clips
Authors of publication	Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5915 - 5925
a	17.9029 ± 0.0006 Å
b	20.2161 ± 0.0007 Å
c	20.8712 ± 0.0007 Å
α	66.916 ± 0.001°
β	77.288 ± 0.001°
γ	68.366 ± 0.001°
Cell volume	6434.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0815
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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