Crystallography Open Database

Information card for entry 1516967

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Structure parameters

Formula	C20 H24 N2 O
Calculated formula	C20 H24 N2 O
SMILES	c1(ccccc1)C(=O)NN[C@H](C(C)C)[C@@H](C=C)c1ccccc1.c1(ccccc1)C(=O)NN[C@@H](C(C)C)[C@H](C=C)c1ccccc1
Title of publication	Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.
Authors of publication	Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	14
Pages of publication	3808 - 3811
a	9.148 ± 0.0003 Å
b	10.4716 ± 0.0004 Å
c	10.7014 ± 0.0004 Å
α	102.932 ± 0.003°
β	112.881 ± 0.003°
γ	94.888 ± 0.003°
Cell volume	903.42 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516967.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516967.cif
121367	2014-08-05	cif/ Updating files of 1516966, 1516967 Original log message: Adding full bibliography for 1516966--1516967.cif.	1516967.cif
119796	2014-07-09	cif/ Adding structures of 1516967 via cif-deposit CGI script.	1516967.cif