Crystallography Open Database

Information card for entry 8105901

Preview

Coordinates	8105901.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(4<i>Z</i>)-2-[(<i>E</i>)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene) methyl]-4-[(1,3,3-trimethyl-3<i>H</i>-indolium-2-yl)methylidene] -3-oxocyclobut-1-en-1-olate
Chemical name	(4<i>Z</i>)-2-[(<i>E</i>)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene) methyl]-4-[(1,3,3-trimethyl-3<i>H</i>-indolium-2-yl)methylidene] -3-oxocyclobut-1-en-1-olate
Formula	C30 H32 N2 O2
Calculated formula	C30 H32 N2 O2
Title of publication	The crystal structure of (4Z)-2-[(E)-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-4-[(1-ethyl-3,3-dimethyl-3H-indolium-2-yl)methylidene]-3-oxocyclobut-1-en-1-olate, C30H32N2O2
Authors of publication	Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Albukhari, Soha M.; Al-Soliemy, Amerah M.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	949 - 951
a	9.8611 ± 0.0002 Å
b	15.8027 ± 0.0003 Å
c	16.2473 ± 0.0003 Å
α	90°
β	100.15 ± 0.002°
γ	90°
Cell volume	2492.23 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 3 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	0.063
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1677
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278650 (current)	2022-10-20	cif/ Adding structures of 8105901 via cif-deposit CGI script.	8105901.cif