Crystallography Open Database

Information card for entry 7243854

Preview

Coordinates	7243854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H55 N5 O8
Calculated formula	C34 H55 N5 O8
Title of publication	Structure–mechanical property relationship of a pentapeptide crystal
Authors of publication	Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	46
Pages of publication	8093 - 8098
a	9.5985 ± 0.0004 Å
b	23.0985 ± 0.0011 Å
c	16.6315 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3687.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0562
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243854.html