Crystallography Open Database

Information card for entry 7134179

Preview

Coordinates	7134179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 N12 O2
Calculated formula	C38 H40 N12 O2
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	9.9056 ± 0.0006 Å
b	10.076 ± 0.0006 Å
c	10.9491 ± 0.0005 Å
α	107.517 ± 0.005°
β	91.562 ± 0.004°
γ	116.601 ± 0.006°
Cell volume	914.85 ± 0.11 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 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	0.086
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7134179.cif
297357	2025-01-17	cif/ Adding structures of 7134179, 7134180, 7134181, 7134182 via cif-deposit CGI script.	7134179.cif