Crystallography Open Database

Information card for entry 1507246

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Structure parameters

Formula	C34 H36 Cl4 O8
Calculated formula	C34 H36 Cl4 O8
SMILES	O(c1c2c(c(OC)cc1)c1c(OC)ccc(OC)c1c1c(OC)ccc(OC)c1c1c(OC)ccc(OC)c21)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene.
Authors of publication	Lai, Chun Wing; Lam, Chi Keung; Lee, Hung Kay; Mak, Thomas C. W.; Wong, Henry N. C.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	6
Pages of publication	823 - 826
a	9.46 ± 0.002 Å
b	12.892 ± 0.003 Å
c	15.324 ± 0.003 Å
α	90.929 ± 0.005°
β	104.42 ± 0.005°
γ	110.95 ± 0.004°
Cell volume	1678.9 ± 0.6 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	0.1297
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	0.805
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507246.cif
176729	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 1.	1507246.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507246.cif
53766	2012-04-20	cif/ Adding structures of 1507246 via cif-deposit CGI script.	1507246.cif