Crystallography Open Database

Information card for entry 1552132

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Structure parameters

Chemical name	(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine
Formula	C16 H19 N Se
Calculated formula	C16 H19 N Se
SMILES	[Se](Cc1ccccc1)C[C@@H](N)Cc1ccccc1
Title of publication	(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine
Authors of publication	Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	7
Pages of publication	x191029
a	5.767 ± 0.0003 Å
b	8.1908 ± 0.0003 Å
c	31.6737 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1496.15 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
217282 (current)	2019-07-27	cif/ hkl/ Adding structures of 1552132 via cif-deposit CGI script.	1552132.cif 1552132.hkl