Crystallography Open Database

Information card for entry 8102004

8102003 << 8102004 >> 8102005

Preview

Coordinates	8102004.cif

Structure parameters

Chemical name	2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]benzaldehyde
Formula	C20 H14 O4
Calculated formula	C20 H14 O4
Title of publication	Crystal structure of 2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]benzaldehyde, C~20~H~14~O~4~
Authors of publication	Werz, D. B.; Balalaie, S.; Rominger, F.; Oloumi, Z.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	3
Pages of publication	339 - 340
a	12.5632 ± 0.0006 Å
b	4.3769 ± 0.0002 Å
c	14.8059 ± 0.0008 Å
α	90°
β	104.213 ± 0.002°
γ	90°
Cell volume	789.22 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0885
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	8102004.cif
107950	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102004.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102004.cif
12743	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8102004 via cif-deposit CGI script.	8102004.cif