Crystallography Open Database

Information card for entry 7128467

Preview

Coordinates	7128467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H36 Cl2 O6
Calculated formula	C52.999 H35.998 Cl1.998 O6
Title of publication	Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity.
Authors of publication	Yubuta, Ayaka; Tsurusaki, Akihiro; Kamikawa, Ken
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	54
Pages of publication	6600 - 6603
a	11.523 ± 0.006 Å
b	12.874 ± 0.007 Å
c	14.864 ± 0.006 Å
α	75.48 ± 0.03°
β	75.27 ± 0.03°
γ	87.03 ± 0.04°
Cell volume	2064.3 ± 1.8 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1755
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.2776
Weighted residual factors for all reflections included in the refinement	0.3464
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268596 (current)	2021-09-06	cif/ Updating files of 7128466, 7128467, 7128468, 7128469 Original log message: Adding full bibliography for 7128466--7128469.cif.	7128467.cif
266276	2021-06-09	cif/ Adding structures of 7128466, 7128467, 7128468, 7128469 via cif-deposit CGI script.	7128467.cif