Crystallography Open Database

Information card for entry 7221569

Preview

Coordinates	7221569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 O
Calculated formula	C25 H20 O
SMILES	OC(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1ccccc1
Title of publication	Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds
Authors of publication	Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	33
Pages of publication	6355
a	8.9849 ± 0.0006 Å
b	5.7029 ± 0.0003 Å
c	17.1999 ± 0.0011 Å
α	90°
β	99.978 ± 0.004°
γ	90°
Cell volume	867.99 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
171082 (current)	2015-12-09	cif/ Updating files of 7221566, 7221567, 7221568, 7221569, 7221570 Original log message: Adding full bibliography for 7221566--7221570.cif.	7221569.cif
152145	2015-07-17	cif/ Adding structures of 7221566, 7221567, 7221568, 7221569, 7221570 via cif-deposit CGI script.	7221569.cif