Crystallography Open Database

Information card for entry 7159555

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Coordinates	7159555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 S6
Calculated formula	C36 H30 S6
Title of publication	Tetra S-confused porphyrinoids.
Authors of publication	Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	38
Pages of publication	7691 - 7695
a	5.446 ± 0.003 Å
b	12.775 ± 0.006 Å
c	22.985 ± 0.01 Å
α	76.667 ± 0.015°
β	88.76 ± 0.015°
γ	81.168 ± 0.015°
Cell volume	1537.4 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2341
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.2278
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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