Crystallography Open Database

Information card for entry 7250300

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Coordinates	7250300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 N10 O4
Calculated formula	C38 H38 N10 O4
Title of publication	Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions
Authors of publication	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	21
Pages of publication	3552 - 3559
a	26.336 ± 0.0019 Å
b	9.3587 ± 0.0005 Å
c	15.4039 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3796.6 ± 0.4 Å³
Cell temperature	143.15 K
Ambient diffraction temperature	143.15 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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