Crystallography Open Database

Information card for entry 7218097

Preview

Coordinates	7218097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Br2 O6
Calculated formula	C28 H28 Br2 O6
Title of publication	Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds
Authors of publication	Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	43
Pages of publication	10131
a	9.8523 ± 0.0003 Å
b	10.1793 ± 0.0003 Å
c	13.922 ± 0.0003 Å
α	70.723 ± 0.002°
β	89.926 ± 0.002°
γ	82.549 ± 0.002°
Cell volume	1305.53 ± 0.06 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 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	0.0499
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180511 (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 7/21/80.	7218097.cif
126372	2014-11-06	cif/ Updating files of 7218094, 7218095, 7218096, 7218097, 7218098 Original log message: Adding full bibliography for 7218094--7218098.cif.	7218097.cif
123718	2014-09-12	cif/ Adding structures of 7218094, 7218095, 7218096, 7218097, 7218098 via cif-deposit CGI script.	7218097.cif