Crystallography Open Database

Information card for entry 1558178

Preview

Coordinates	1558178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H84 O19
Calculated formula	C74.0001 H84 O19
Title of publication	Synthesis of Cycloiptycenes from Carbon Nanobelt
Authors of publication	Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro
Journal of publication	Chemical Science
Year of publication	2020
a	31.0383 ± 0.0008 Å
b	31.0383 ± 0.0008 Å
c	11.8708 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	9903.9 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2302
Residual factor for significantly intense reflections	0.1465
Weighted residual factors for significantly intense reflections	0.41
Weighted residual factors for all reflections included in the refinement	0.452
Goodness-of-fit parameter for all reflections included in the refinement	1.51
Diffraction radiation probe	x-ray
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
288248 (current)	2023-12-12	cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names.	1558178.cif
252658	2020-06-05	cif/ Adding structures of 1558177, 1558178, 1558179, 1558180 via cif-deposit CGI script.	1558178.cif