Crystallography Open Database

Information card for entry 4507080

Preview

Coordinates	4507080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 N O5
Calculated formula	C29 H37 N O5
Title of publication	Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Authors of publication	Nath, Bhaskar; Baruah, Jubaraj B.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6173
a	9.8237 ± 0.0011 Å
b	11.8361 ± 0.0013 Å
c	13.2385 ± 0.0014 Å
α	68.077 ± 0.004°
β	88.819 ± 0.004°
γ	68.848 ± 0.004°
Cell volume	1320.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1827
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179606 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/70.	4507080.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507080.cif
71957	2013-01-21	cif/ Adding structures of 4507080 via cif-deposit CGI script.	4507080.cif