Crystallography Open Database

Information card for entry 7038438

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Structure parameters

Formula	C30 H43 N3
Calculated formula	C30 H43 N3
SMILES	N1(C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=CN(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.
Authors of publication	Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	9860 - 9870
a	9.3774 ± 0.0002 Å
b	20.2169 ± 0.0004 Å
c	15.0009 ± 0.0003 Å
α	90°
β	100.092 ± 0.0011°
γ	90°
Cell volume	2799.9 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0452
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7038438.cif
185381	2016-08-07	cif/ Updating files of 7038430, 7038431, 7038432, 7038433, 7038434, 7038435, 7038436, 7038437, 7038438, 7038439 Original log message: Adding full bibliography for 7038430--7038439.cif.	7038438.cif
176736	2016-02-19	cif/ Adding structures of 7038430, 7038431, 7038432, 7038433, 7038434, 7038435, 7038436, 7038437, 7038438, 7038439 via cif-deposit CGI script.	7038438.cif