Crystallography Open Database

Information card for entry 7131610

Preview

Coordinates	7131610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N2 O2
Calculated formula	C36 H24 N2 O2
Title of publication	Remote template effect in the synthesis of bipyridine-strapped porphyrins.
Authors of publication	Berthe, Mathilde; Kagawa, Yoshiyuki; Riquet, Axel; Hayashi, Takashi; Weiss, Jean; Wytko, Jennifer A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	44
Pages of publication	6718 - 6721
a	10.7134 ± 0.0005 Å
b	12.6341 ± 0.0006 Å
c	10.023 ± 0.0005 Å
α	90°
β	107.382 ± 0.002°
γ	90°
Cell volume	1294.7 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0418
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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