Crystallography Open Database

Information card for entry 7703786

Preview

Coordinates	7703786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H88 B5 Cl4 N8 O11
Calculated formula	C114 H88 B5 Cl4 N8 O11
Title of publication	Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.
Authors of publication	Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	15
Pages of publication	4834 - 4842
a	12.73 ± 0.0002 Å
b	13.2386 ± 0.0002 Å
c	15.2532 ± 0.0002 Å
α	84.424 ± 0.001°
β	74.941 ± 0.001°
γ	88.598 ± 0.001°
Cell volume	2470.56 ± 0.06 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251653 (current)	2020-05-05	cif/ Updating files of 7703777, 7703778, 7703779, 7703780, 7703781, 7703782, 7703783, 7703784, 7703785, 7703786, 7703787, 7703788 Original log message: Adding full bibliography for 7703777--7703788.cif.	7703786.cif
249515	2020-03-19	cif/ Adding structures of 7703777, 7703778, 7703779, 7703780, 7703781, 7703782, 7703783, 7703784, 7703785, 7703786, 7703787, 7703788 via cif-deposit CGI script.	7703786.cif