Crystallography Open Database

Information card for entry 4104935

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Coordinates	4104935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H91.249 O43.6245
Calculated formula	C45 H49 O43.6245
Title of publication	Social Self-Sorting: Alternating Supramolecular Oligomer Consisting of Isomers
Authors of publication	Naoki Tomimasu; Akira Kanaya; Yoshinori Takashima; Hiroyasu Yamaguchi; Akira Harada
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12339 - 12343
a	15.5665 ± 0.0004 Å
b	23.5385 ± 0.0005 Å
c	33.1929 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12162.3 ± 0.5 Å³
Cell temperature	100.1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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