Crystallography Open Database

Information card for entry 2219485

2219484 << 2219485 >> 2219486

Preview

Structure parameters

Chemical name	Tetrakis[2-(benzylaminocarbonyl)phenoxymethyl]methane
Formula	C61 H56 N4 O8
Calculated formula	C61 H56 N4 O8
SMILES	O(CC(COc1ccccc1C(=O)NCc1ccccc1)(COc1ccccc1C(=O)NCc1ccccc1)COc1ccccc1C(=O)NCc1ccccc1)c1ccccc1C(=O)NCc1ccccc1
Title of publication	Tetrakis[2-(benzylaminocarbonyl)phenoxymethyl]methane
Authors of publication	Song, Xue-Qin
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	10
Pages of publication	o1911
a	13.0505 ± 0.0004 Å
b	13.6943 ± 0.0004 Å
c	14.3577 ± 0.0004 Å
α	92.519 ± 0.001°
β	102.677 ± 0.001°
γ	92.737 ± 0.001°
Cell volume	2496.66 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0482
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2219485.html