Crystallography Open Database

Information card for entry 7711392

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Coordinates	7711392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 B4 O7
Calculated formula	C20 H18 B4 O7
Title of publication	Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.
Authors of publication	Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	23.344 ± 0.0011 Å
b	5.0532 ± 0.0002 Å
c	16.8609 ± 0.0008 Å
α	90°
β	110.312 ± 0.005°
γ	90°
Cell volume	1865.26 ± 0.16 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0551
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for all reflections	0.154
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	0.9518
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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