Crystallography Open Database

Information card for entry 7157735

Preview

Coordinates	7157735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 O11
Calculated formula	C40 H52 O11
Title of publication	Functionalized fluorescent terephthalate monomers and their attempted polyester formation.
Authors of publication	Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	42
Pages of publication	8735 - 8745
a	17.1752 ± 0.0002 Å
b	8.82114 ± 0.00017 Å
c	24.8611 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3766.58 ± 0.11 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258954 (current)	2020-11-06	cif/ Updating files of 7157735 Original log message: Adding full bibliography for 7157735.cif.	7157735.cif
258361	2020-10-14	cif/ Adding structures of 7157735 via cif-deposit CGI script.	7157735.cif