Crystallography Open Database

Information card for entry 7238554

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Structure parameters

Formula	C39 H29 N5 O
Calculated formula	C39 H29 N5 O
Title of publication	Synthesis, structural characterization, solvatochromism, and ion-binding studies of a ditopic receptor based on 2-(4-[2,2′: 6′,2′′]terpyridin-4′-yl-phenyl)-1H-phenanthro[9,10-d] imidazole (tpy-HImzphen) unit
Authors of publication	Bhaumik, Chanchal; Maity, Dinesh; Das, Shyamal; Baitalik, Sujoy
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	6
Pages of publication	2581
a	9.7301 ± 0.0009 Å
b	54.938 ± 0.005 Å
c	5.4824 ± 0.0005 Å
α	90°
β	92.879 ± 0.006°
γ	90°
Cell volume	2926.9 ± 0.5 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7238554.cif
244229	2019-11-28	cif/ Adding structures of 7238554 via cif-deposit CGI script.	7238554.cif