Crystallography Open Database

Information card for entry 8107129

Preview

Coordinates	8107129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 O6
Calculated formula	C37 H32 O6
SMILES	c1(c(cc(c(c1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)O)C(=O)/C=C/c1ccc(cc1)OC
Title of publication	Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
Authors of publication	Kuo, Chen-Miao; Hill, Tania N.; Bezuidenhoudt, Barend C. B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1155 - 1157
a	5.5354 ± 0.0007 Å
b	16.983 ± 0.002 Å
c	31.211 ± 0.004 Å
α	90°
β	91.535 ± 0.008°
γ	90°
Cell volume	2933 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.181
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
282988 (current)	2023-05-04	cif/ Adding structures of 8107129 via cif-deposit CGI script.	8107129.cif