Crystallography Open Database

Information card for entry 4023558

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Coordinates	4023558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H105.5 Cl4 N20.5 O28
Calculated formula	C106.96 H105.5 Cl4 N20.5 O28
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	15.4848 ± 0.0005 Å
b	16.8763 ± 0.0005 Å
c	22.1548 ± 0.0007 Å
α	87.8303 ± 0.0012°
β	70.8776 ± 0.0011°
γ	83.9976 ± 0.0011°
Cell volume	5440.1 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1976
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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