Crystallography Open Database

Information card for entry 4067758

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Structure parameters

Formula	C35 H36 N2 O
Calculated formula	C35 H36 N2 O
Title of publication	Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands
Authors of publication	Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1729
a	16.0406 ± 0.0014 Å
b	10.8168 ± 0.0009 Å
c	56.512 ± 0.005 Å
α	90°
β	90.539 ± 0.001°
γ	90°
Cell volume	9804.8 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1757
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4067758.cif
178568	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77.	4067758.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067758.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067758.cif
34285	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067757, 4067758, 4067759, 4067760, 4067761, 4067762 via cif-deposit CGI script.	4067758.cif