Crystallography Open Database

Information card for entry 1570944

Preview

Coordinates	1570944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Cl2 O2
Calculated formula	C48 H36 Cl2 O2
SMILES	ClCCl.o1c(=O)ccc2c1c1c3c4ccccc4c4c5c3c3c6c(c7ccccc7c3c1cc2)c(cc1c6c5c(cc4C(C)(C)C)cc1)C(C)(C)C
Title of publication	Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.
Authors of publication	Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	10
Pages of publication	5395 - 5400
a	15.099 ± 0.0018 Å
b	15.0514 ± 0.0017 Å
c	15.4881 ± 0.0016 Å
α	90°
β	96.33 ± 0.002°
γ	90°
Cell volume	3498.4 ± 0.7 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	0.1848
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.1937
Weighted residual factors for all reflections included in the refinement	0.229
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
291004 (current)	2024-04-05	cif/ Updating files of 1570944, 1570945 Original log message: Adding full bibliography for 1570944--1570945.cif.	1570944.cif
289730	2024-02-07	cif/ Adding structures of 1570944, 1570945 via cif-deposit CGI script.	1570944.cif