Crystallography Open Database

Information card for entry 7219239

7219238 << 7219239 >> 7219240

Preview

Coordinates	7219239.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	p-cresol
Formula	C7 H8 O
Calculated formula	C7 H8 O
Title of publication	Solid state structures of p-cresol revisited
Authors of publication	Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	28
Pages of publication	5134
a	5.6775 ± 0.0003 Å
b	11.7141 ± 0.0007 Å
c	18.3172 ± 0.0011 Å
α	90°
β	98.832 ± 0.001°
γ	90°
Cell volume	1203.77 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219239.cif
143458	2015-07-11	cif/ Updating files of 7219239, 7219240 Original log message: Adding full bibliography for 7219239--7219240.cif.	7219239.cif
129443	2015-01-08	cif/ Adding structures of 7219239, 7219240 via cif-deposit CGI script.	7219239.cif