Crystallography Open Database

Information card for entry 2014486

2014485 << 2014486 >> 2014487

Preview

Structure parameters

Chemical name	L-Phenyl-L-isoleucine
Formula	C15 H23.76 N2 O3.88
Calculated formula	C15 H23.763 N2 O3.8815
Title of publication	<small>L</small>-Phenylalanyl-<small>L</small>-isoleucine 0.88-hydrate
Authors of publication	Görbitz, Carl Henrik
Journal of publication	Acta Crystallographica Section C
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o810 - o812
a	5.5634 ± 0.0003 Å
b	17.0558 ± 0.0009 Å
c	16.6859 ± 0.0009 Å
α	90°
β	96.744 ± 0.001°
γ	90°
Cell volume	1572.34 ± 0.15 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014486.html