Crystallography Open Database

Information card for entry 7711984

7711983 << 7711984 >> 7711985

Preview

Coordinates	7711984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 B P
Calculated formula	C25 H42 B P
SMILES	[P]1(Cc2c(cccc2)[B]1(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
Title of publication	Frustrated Lewis pair-ligated tetrelenes.
Authors of publication	Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	774 - 786
a	10.7112 ± 0.0004 Å
b	11.6101 ± 0.0004 Å
c	18.4751 ± 0.0006 Å
α	90°
β	90.838 ± 0.001°
γ	90°
Cell volume	2297.28 ± 0.14 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
283347 (current)	2023-05-05	cif/ Updating files of 7711983, 7711984, 7711985, 7711986, 7711987, 7711988, 7711989 Original log message: Adding full bibliography for 7711983--7711989.cif.	7711984.cif
279958	2022-12-21	cif/ Adding structures of 7711983, 7711984, 7711985, 7711986, 7711987, 7711988, 7711989 via cif-deposit CGI script.	7711984.cif