Crystallography Open Database

Information card for entry 7238218

Preview

Coordinates	7238218.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Phenylmethanol
Chemical name	Phenylmethanol
Formula	C7 H8 O
Calculated formula	C7 H8 O
Title of publication	Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives
Authors of publication	Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3112
a	5.84 ± 0.005 Å
b	4.871 ± 0.004 Å
c	10.764 ± 0.01 Å
α	90°
β	91.656 ± 0.016°
γ	90°
Cell volume	306.1 ± 0.5 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2386
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
244091 (current)	2019-11-28	cif/ Adding structures of 7238218, 7238219, 7238220, 7238221, 7238222, 7238223, 7238224, 7238225 via cif-deposit CGI script.	7238218.cif