Crystallography Open Database

Information card for entry 1555862

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Coordinates	1555862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H96 N8 O4
Calculated formula	C104 H96 N8 O4
Title of publication	m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.
Authors of publication	Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	5380 - 5383
a	50.36 ± 0.007 Å
b	16.491 ± 0.002 Å
c	26.798 ± 0.004 Å
α	90°
β	119.019 ± 0.003°
γ	90°
Cell volume	19461 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.1384
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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