Crystallography Open Database

Information card for entry 4130589

Preview

Coordinates	4130589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C225 H230 N10 O5
Calculated formula	C225 H230 N10 O5
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	13.6161 ± 0.0001 Å
b	23.9402 ± 0.0003 Å
c	24.0353 ± 0.0003 Å
α	113.847 ± 0.0007°
β	105.411 ± 0.0005°
γ	96.269 ± 0.0005°
Cell volume	6696.56 ± 0.14 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.1064
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.2377
Weighted residual factors for all reflections included in the refinement	0.2431
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
240989 (current)	2019-11-25	cif/ Adding structures of 4130589 via cif-deposit CGI script.	4130589.cif