Crystallography Open Database

Information card for entry 7133773

Preview

Coordinates	7133773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H59 Cl3 N2 Se
Calculated formula	C63 H59 Cl3 N2 Se
Title of publication	Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features.
Authors of publication	Kumar, Viksit; Dongre, Sangram D.; Venugopal, Geethu; Narayanan, Aswini; Babu, Sukumaran Santhosh
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	83
Pages of publication	11944 - 11947
a	11.0594 ± 0.0009 Å
b	16.3603 ± 0.0015 Å
c	16.3749 ± 0.0015 Å
α	62.846 ± 0.003°
β	76.886 ± 0.003°
γ	76.976 ± 0.003°
Cell volume	2542 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
296269 (current)	2024-12-06	cif/ Updating files of 7133772, 7133773 Original log message: Adding full bibliography for 7133772--7133773.cif.	7133773.cif
294903	2024-09-27	cif/ Adding structures of 7133772, 7133773 via cif-deposit CGI script.	7133773.cif