Crystallography Open Database

Information card for entry 7225267

Preview

Coordinates	7225267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N2 O4 S2
Calculated formula	C34 H32 N2 O4 S2
Title of publication	Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.
Authors of publication	Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	21
Pages of publication	14709 - 14719
a	24.442 ± 0.004 Å
b	15.052 ± 0.003 Å
c	8.5086 ± 0.0015 Å
α	90°
β	108.057 ± 0.002°
γ	90°
Cell volume	2976.1 ± 0.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
287940 (current)	2023-12-01	cif/ Corrected the misspelt variants of the '_publ_section_exptl_refinement' data name in multiple entries.	7225267.cif
183794	2016-06-18	cif/ Updating files of 7225267, 7225268, 7225269, 7225270 Original log message: Adding full bibliography for 7225267--7225270.cif.	7225267.cif
183009	2016-05-18	cif/ Adding structures of 7225267, 7225268, 7225269, 7225270 via cif-deposit CGI script.	7225267.cif