Crystallography Open Database

Information card for entry 2311871

Preview

Coordinates	2311871.cif
Original IUCr paper	HTML

Structure parameters

Common name	PLZ03102016
Chemical name	Methyl 8-[4-(1<i>H</i>-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate
Formula	C30 H44 N2 O4
Calculated formula	C30 H44 N2 O4
Title of publication	Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.
Authors of publication	Geiger, H. Cristina; Zick, Patricia L.; Roberts, William R.; Geiger, David K.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 4
Pages of publication	350 - 356
a	9.2021 ± 0.0017 Å
b	10.2022 ± 0.0016 Å
c	16.532 ± 0.003 Å
α	74.49 ± 0.006°
β	78.452 ± 0.006°
γ	76.849 ± 0.006°
Cell volume	1440.2 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246147 (current)	2019-12-26	cif/ Adding structures of 2311871 via cif-deposit CGI script.	2311871.cif