Crystallography Open Database

Information card for entry 8103191

Preview

Coordinates	8103191.cif

Structure parameters

Chemical name	1,3-bis(o-hydroxybenzyl)-2- phenylimidazolidine
Formula	C23 H24 N2 O2
Calculated formula	C23 H24 N2 O2
SMILES	C1(c2ccccc2)N(CCN1Cc1ccccc1O)Cc1ccccc1O
Title of publication	Crystal structure of 1,3-bis(o-hydroxybenzyl)-2-phenylimidazolidine, C23H24N2O2
Authors of publication	Yan-Wei Li; Li-Qiao Zhang; Zi-Xing Ren; Su Zhang; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	489
a	6.255 ± 0.005 Å
b	9.095 ± 0.005 Å
c	17.925 ± 0.005 Å
α	80.113 ± 0.005°
β	87.715 ± 0.005°
γ	74.388 ± 0.005°
Cell volume	967.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0878
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	0.877
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103191.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103191.cif
32534	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103191 via cif-deposit CGI script.	8103191.cif