Crystallography Open Database

Information card for entry 7157368

Preview

Coordinates	7157368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 N5 O4
Calculated formula	C30 H23 N5 O4
Title of publication	Synthesis of phthalimides cross-conjugated with an azulene ring, and their structural, optical and electrochemical properties.
Authors of publication	Shoji, Taku; Iida, Nanami; Yamazaki, Akari; Ariga, Yukino; Ohta, Akira; Sekiguchi, Ryuta; Nagahata, Tatsuki; Nagasawa, Takuya; Ito, Shunji
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	12
Pages of publication	2274 - 2282
a	15.1789 ± 0.0004 Å
b	11.1406 ± 0.0003 Å
c	15.2829 ± 0.0005 Å
α	90°
β	96.945 ± 0.003°
γ	90°
Cell volume	2565.41 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
250375 (current)	2020-04-05	cif/ Updating files of 7157368 Original log message: Adding full bibliography for 7157368.cif.	7157368.cif
248562	2020-02-29	cif/ Adding structures of 7157368 via cif-deposit CGI script.	7157368.cif