Crystallography Open Database

Information card for entry 4324275

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Structure parameters

Formula	C19 H21 N2 P Se
Calculated formula	C19 H21 N2 P Se
SMILES	[Se]=P(c1n(ccn1)C(C)(C)C)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole
Authors of publication	Susanne Sauerbrey; Paresh Kumar Majhi; Jörg Daniels; Gregor Schnakenburg; Gerhard Markus Brändle; Katharina Scherer; Rainer Streubel
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	793 - 799
a	8.6754 ± 0.0002 Å
b	9.4666 ± 0.0002 Å
c	11.758 ± 0.0003 Å
α	87.326 ± 0.001°
β	73.395 ± 0.001°
γ	74.041 ± 0.001°
Cell volume	889.18 ± 0.04 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324275.cif
179345	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/42.	4324275.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324275.cif
40980	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324275 via cif-deposit CGI script.	4324275.cif