Crystallography Open Database

Information card for entry 4083659

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Structure parameters

Formula	C24 H30 B Cl F10 N P Si
Calculated formula	C24 H30 B Cl F10 N P Si
SMILES	[Si]([NH+]=P(C(C)(C)C)(C(C)(C)C)C[B](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)(C)C
Title of publication	Main Group Heterocycles from Lithiated Phosphinimines
Authors of publication	Alhomaidan, Osamah; Hollink, Emily; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	12
Pages of publication	3041
a	11.825 ± 0.007 Å
b	15.73 ± 0.009 Å
c	16.846 ± 0.01 Å
α	90°
β	110.55 ± 0.01°
γ	90°
Cell volume	2934 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	8
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	0.1354
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	0.733
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4083659.cif
178725	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36.	4083659.cif
117703	2014-06-15	cif/ Adding structures of 4083654, 4083655, 4083656, 4083657, 4083658, 4083659, 4083660 via cif-deposit CGI script.	4083659.cif