Crystallography Open Database

Information card for entry 7123762

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Coordinates	7123762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 B2 O14 Si8
Calculated formula	C62 H54 B2 O14 Si8
Title of publication	A General Diversity Oriented Synthesis of Asymmetric Double-Decker Shaped Silsesquioxanes
Authors of publication	Barry, Badru-Deen; Dannatt, Jonathan Elvin; King, Austin Kendall; Lee, Andre; Maleczka, Robert
Journal of publication	Chemical Communications
Year of publication	2019
a	13.2208 ± 0.0002 Å
b	13.2988 ± 0.0002 Å
c	19.7225 ± 0.0003 Å
α	76.1452 ± 0.0008°
β	76.4917 ± 0.001°
γ	69.0621 ± 0.0009°
Cell volume	3102.25 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0426
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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