Crystallography Open Database

Information card for entry 7707363

Preview

Coordinates	7707363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 B10 N O
Calculated formula	C31 H29 B10 N O
SMILES	O=C([C]1234[C]567(c8ccc9ccccc9c8)[BH]892[BH]2%101[BH]1%114[BH]437[BH]376[BH]658[BH]59%10[BH]821[BH]365[BH]%11478)c1ccc(n2c3ccccc3c3ccccc23)cc1
Title of publication	A "flexible" carborane-cored luminogen: variable emission behaviours in aggregates.
Authors of publication	Li, Jiaxin; Xu, Jinkai; Yan, Linbo; Lu, Changsheng; Yan, Hong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	8029 - 8035
a	12.272 ± 0.0008 Å
b	28.4854 ± 0.0018 Å
c	8.7147 ± 0.0005 Å
α	90°
β	107.071 ± 0.002°
γ	90°
Cell volume	2912.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267187 (current)	2021-07-05	cif/ Updating files of 7707362, 7707363 Original log message: Adding full bibliography for 7707362--7707363.cif.	7707363.cif
265028	2021-05-07	cif/ Adding structures of 7707362, 7707363 via cif-deposit CGI script.	7707363.cif