Crystallography Open Database

Information card for entry 7248116

Preview

Coordinates	7248116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O
Calculated formula	C23 H21 N3 O
SMILES	OC.[nH]1c2c(c(C(c3c4c([nH]c3)cccc4)c3cccnc3)c1)cccc2
Title of publication	Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane
Authors of publication	Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	10
Pages of publication	1438 - 1443
a	14.4804 ± 0.0019 Å
b	9.3873 ± 0.001 Å
c	15.0373 ± 0.0019 Å
α	90°
β	112.596 ± 0.004°
γ	90°
Cell volume	1887.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1708
Residual factor for significantly intense reflections	0.1228
Weighted residual factors for significantly intense reflections	0.3134
Weighted residual factors for all reflections included in the refinement	0.4094
Goodness-of-fit parameter for all reflections included in the refinement	1.5692
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290881 (current)	2024-04-05	cif/ Updating files of 7248111, 7248112, 7248113, 7248114, 7248115, 7248116, 7248117 Original log message: Adding full bibliography for 7248111--7248117.cif.	7248116.cif
289777	2024-02-10	cif/ Adding structures of 7248111, 7248112, 7248113, 7248114, 7248115, 7248116, 7248117 via cif-deposit CGI script.	7248116.cif