Crystallography Open Database

Information card for entry 4023529

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Coordinates	4023529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H63 Br8 O8
Calculated formula	C93 H63 Br8 O8
Title of publication	Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol
Authors of publication	Tao Tu; Thierry Maris; James D. Wuest
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5255 - 5263
a	11.4661 ± 0.0002 Å
b	15.3621 ± 0.0003 Å
c	22.3588 ± 0.0005 Å
α	105.206 ± 0.001°
β	94.292 ± 0.001°
γ	91.621 ± 0.001°
Cell volume	3785.11 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0979
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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