Crystallography Open Database

Information card for entry 7134182

Preview

Coordinates	7134182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 N10
Calculated formula	C40 H42 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	17.1684 ± 0.0008 Å
b	9.2231 ± 0.0004 Å
c	12.1013 ± 0.0006 Å
α	90°
β	108.561 ± 0.005°
γ	90°
Cell volume	1816.52 ± 0.16 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7134182.cif
297357	2025-01-17	cif/ Adding structures of 7134179, 7134180, 7134181, 7134182 via cif-deposit CGI script.	7134182.cif