Crystallography Open Database

Information card for entry 7134201

Preview

Coordinates	7134201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H41 Cl3
Calculated formula	C65 H41 Cl3
Title of publication	Through-space conjugation driven luminescence enhancement in crystalline butterfly architectures.
Authors of publication	Sujilkumar, Suvarna; Hari, Avinash; Hariharan, Mahesh
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	16
Pages of publication	3331 - 3334
a	11.8264 ± 0.0005 Å
b	21.1618 ± 0.001 Å
c	21.7622 ± 0.001 Å
α	111.549 ± 0.002°
β	102.509 ± 0.002°
γ	99.005 ± 0.002°
Cell volume	4775.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2213
Weighted residual factors for all reflections included in the refinement	0.234
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298030 (current)	2025-03-04	cif/ Updating files of 7134201, 7134202 Original log message: Adding full bibliography for 7134201--7134202.cif.	7134201.cif
297504	2025-01-29	cif/ Adding structures of 7134201, 7134202 via cif-deposit CGI script.	7134201.cif