Crystallography Open Database

Information card for entry 1100380

Preview

Coordinates	1100380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 N2
Calculated formula	C27 H30 N2
SMILES	N#C[C@@H]([C@@H](N(Cc1ccccc1)Cc1ccccc1)C(C)C)Cc1ccccc1
Title of publication	Stereoselective synthesis of β-amino nitriles and 1,3-diamines
Authors of publication	Reetz, Manfred T.; Kayser, Frank; Harms, Klaus
Journal of publication	Tetrahedron Letters
Year of publication	1994
Journal volume	35
Journal issue	47
Pages of publication	8769 - 8772
a	33.466 ± 0.004 Å
b	6.977 ± 0.001 Å
c	9.89 ± 0.002 Å
α	90°
β	96.73 ± 0.01°
γ	90°
Cell volume	2293.33 Å³
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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