Crystallography Open Database

Information card for entry 7110805

Preview

Coordinates	7110805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24
Calculated formula	C18 H24
SMILES	c1c(ccc2cc(ccc12)C(C)(C)C)C(C)(C)C
Title of publication	Superlattices, polymorphs and solid-state NMR spin‒lattice relaxation (T1) measurements of 2,6-di-tert-butylnaphthalene
Authors of publication	Rheingold, Arnold L.; Figueroa, Joshua S.; Dybowski, Cecil; Beckmann, Peter A.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	8
Pages of publication	651
a	19.6636 ± 0.0001 Å
b	12.6712 ± 0.0002 Å
c	19.7853 ± 0.0003 Å
α	90°
β	104.432 ± 0.0001°
γ	90°
Cell volume	4774.17 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1935
Residual factor for significantly intense reflections	0.1368
Weighted residual factors for significantly intense reflections	0.3685
Weighted residual factors for all reflections included in the refinement	0.4491
Goodness-of-fit parameter for all reflections included in the refinement	2.061
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110805.cif
95920	2014-01-28	cif/ Adding structures of 7110805, 7110806 via cif-deposit CGI script.	7110805.cif