Crystallography Open Database

Information card for entry 4024094

Preview

Coordinates	4024094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H86 Cl2 N4 O18
Calculated formula	C97 H86 Cl2 N4 O18
Title of publication	Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids
Authors of publication	Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	6232 - 6240
a	16.3542 ± 0.0003 Å
b	17.9863 ± 0.0003 Å
c	18.0871 ± 0.0004 Å
α	66.749 ± 0.001°
β	85.227 ± 0.001°
γ	63.118 ± 0.001°
Cell volume	4330.46 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1919
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4024094.html