Crystallography Open Database

Information card for entry 4130588

Preview

Coordinates	4130588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C220 H230 N10
Calculated formula	C220 H230 N10
Title of publication	Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.
Authors of publication	Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	24
Pages of publication	7540 - 7543
a	13.8029 ± 0.0002 Å
b	24.1019 ± 0.0004 Å
c	24.1387 ± 0.0003 Å
α	114.836 ± 0.0007°
β	97.8836 ± 0.0007°
γ	103.484 ± 0.0005°
Cell volume	6830.69 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.13
Residual factor for significantly intense reflections	0.113
Weighted residual factors for significantly intense reflections	0.2844
Weighted residual factors for all reflections included in the refinement	0.2909
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240988 (current)	2019-11-25	cif/ Adding structures of 4130588 via cif-deposit CGI script.	4130588.cif