Crystallography Open Database

Information card for entry 7717582

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Coordinates	7717582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 B10
Calculated formula	C17 H24 B10
Title of publication	Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.
Authors of publication	Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
a	6.992 ± 0.0002 Å
b	10.1133 ± 0.0003 Å
c	27.3441 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1933.56 ± 0.1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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