Crystallography Open Database

Information card for entry 4083655

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Structure parameters

Formula	C36 H37 B F10 N P
Calculated formula	C36 H37 B F10 N P
SMILES	P1(=[N](c2c(cc(cc2C)C)C)[B](C1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)C(C)(C)C.c1ccccc1
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	12.3506 ± 0.0019 Å
b	23.052 ± 0.004 Å
c	12.2362 ± 0.0019 Å
α	90°
β	94.344 ± 0.002°
γ	90°
Cell volume	3473.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4083655.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.	4083655.cif
117703	2014-06-15	cif/ Adding structures of 4083654, 4083655, 4083656, 4083657, 4083658, 4083659, 4083660 via cif-deposit CGI script.	4083655.cif