Crystallography Open Database

Information card for entry 1519628

1519627 << 1519628 >> 1519629

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Coordinates	1519628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H70 B4 O20
Calculated formula	C102 H70 B4 O20
Title of publication	Multilayered inclusion nanocycles of anionic spiroborates.
Authors of publication	Danjo, Hiroshi; Kidena, Yuki; Kawahata, Masatoshi; Sato, Hiroyasu; Katagiri, Kosuke; Miyazawa, Toshifumi; Yamaguchi, Kentaro
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2466 - 2469
a	30.624 ± 0.013 Å
b	56.38 ± 0.02 Å
c	22.177 ± 0.009 Å
α	90°
β	93.399 ± 0.011°
γ	90°
Cell volume	38223 ± 3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3251
Residual factor for significantly intense reflections	0.1864
Weighted residual factors for significantly intense reflections	0.4594
Weighted residual factors for all reflections included in the refinement	0.5366
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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