Crystallography Open Database

Information card for entry 4020557

4020556 << 4020557 >> 4020558

Preview

Coordinates	4020557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N2
Calculated formula	C28 H26 N2
SMILES	c1(ccc(cc1)C)N/C(c1ccccc1)=C(c1ccccc1)/Nc1ccc(cc1)C
Title of publication	Ene-diamine versus Imine-amine Isomeric Preferences
Authors of publication	B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	8409 - 8416
a	16.5867 ± 0.0017 Å
b	44.319 ± 0.006 Å
c	5.7826 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4250.8 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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