Crystallography Open Database

Information card for entry 4126236

Preview

Coordinates	4126236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H150 Cl9 N8 Ni2 O
Calculated formula	C134 H150 Cl9 N8 Ni2 O
Title of publication	Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.
Authors of publication	Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	26
Pages of publication	9075 - 9088
a	15.6525 ± 0.0017 Å
b	20.125 ± 0.003 Å
c	21.372 ± 0.002 Å
α	89.65 ± 0.017°
β	69.675 ± 0.016°
γ	89.297 ± 0.018°
Cell volume	6312.7 ± 1.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
199578 (current)	2017-08-05	cif/ Updating files of 4126236 Original log message: Adding full bibliography for 4126236.cif.	4126236.cif
198121	2017-06-24	cif/ Adding structures of 4126236 via cif-deposit CGI script.	4126236.cif