Crystallography Open Database

Information card for entry 7134180

Preview

Coordinates	7134180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N10
Calculated formula	C22 H22 N10
Title of publication	Synthesis of fully fused tetrapyrazinoporphyrazine polymers bearing three-dimensional structures controlled by steric repulsion.
Authors of publication	Watanabe, Kosuke; Toya, Teruki; Toyota, Yuto; Kobayashi, Yoichi; Usuba, Junichi; Hijikata, Yuh; Matsuda, Ryotaro; Nishimura, Katsuyuki; Sugiyama, Haruki; Segawa, Yasutomo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	13
Pages of publication	2822 - 2825
a	8.6557 ± 0.0005 Å
b	14.4716 ± 0.0008 Å
c	17.0096 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2130.7 ± 0.2 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298038 (current)	2025-03-04	cif/ Updating files of 7134179, 7134180, 7134181, 7134182 Original log message: Adding full bibliography for 7134179--7134182.cif.	7134180.cif
297357	2025-01-17	cif/ Adding structures of 7134179, 7134180, 7134181, 7134182 via cif-deposit CGI script.	7134180.cif