Crystallography Open Database

Information card for entry 7131930

7131929 << 7131930 >> 7131931

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Coordinates	7131930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H37 B N3 P
Calculated formula	C21 H37 B N3 P
SMILES	p1c([n+](nn1c1c(cccc1C(C)C)C(C)C)CC)[B](CC)(CC)CC
Title of publication	Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts
Authors of publication	Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian
Journal of publication	Chemical Communications
Year of publication	2023
a	14.06027 ± 0.00009 Å
b	23.24206 ± 0.00015 Å
c	14.36186 ± 0.00009 Å
α	90°
β	102.728 ± 0.0002°
γ	90°
Cell volume	4577.97 ± 0.05 Å³
Cell temperature	102.6 K
Ambient diffraction temperature	102.6 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	0.0348
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.0328
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285352 (current)	2023-07-27	cif/ Adding structures of 7131926, 7131927, 7131928, 7131929, 7131930 via cif-deposit CGI script.	7131930.cif