Crystallography Open Database

Information card for entry 4508412

Preview

Coordinates	4508412.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	syn-2c
Formula	C24 H22 O2
Calculated formula	C24 H22 O2
Title of publication	Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays
Authors of publication	Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4714
a	16.9056 ± 0.0013 Å
b	13.3322 ± 0.001 Å
c	16.9493 ± 0.0012 Å
α	90°
β	90.21 ± 0.002°
γ	90°
Cell volume	3820.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0613
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179620 (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 4/50/84.	4508412.cif
91441	2013-12-13	cif/ Adding structures of 4508412 via cif-deposit CGI script.	4508412.cif