Crystallography Open Database

Information card for entry 2240467

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Structure parameters

Chemical name	1-Methoxypyrene
Formula	C17 H12 O
Calculated formula	C17 H12 O
Title of publication	Crystal structure of 1-methoxypyrene
Authors of publication	Morales-Espinoza, Eric G.; Rivera, Ernesto; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	3
Pages of publication	o210 - o211
a	16.4163 ± 0.0015 Å
b	15.8838 ± 0.0015 Å
c	13.5669 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3537.6 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181904 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04	2240467.cif 2240467.hkl
181324	2016-04-03	hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04.	2240467.cif 2240467.hkl
176809	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2240467.cif 2240467.hkl
132571	2015-02-28	cif/ hkl/ Adding structures of 2240467 via cif-deposit CGI script.	2240467.cif 2240467.hkl