Crystallography Open Database

Information card for entry 1570717

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Coordinates	1570717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N O2 P
Calculated formula	C30 H22 N O2 P
Title of publication	The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings
Authors of publication	Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji
Journal of publication	Molecules
Year of publication	2023
Journal volume	29
Journal issue	1
Pages of publication	38
a	36.7954 ± 0.0007 Å
b	6.4842 ± 0.00012 Å
c	19.5726 ± 0.0004 Å
α	90°
β	102.487 ± 0.0008°
γ	90°
Cell volume	4559.34 ± 0.15 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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