Crystallography Open Database

Information card for entry 7132956

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Coordinates	7132956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H86 N4 O4
Calculated formula	C86 H86 N4 O4
Title of publication	Solvent-free synthesis and chiroptical properties of a C-N axially chiral cruciform dimer of benzo[<i>b</i>]phenoxazine.
Authors of publication	Ishikawa, Shuhei; Sakamaki, Daisuke; Gon, Masayuki; Tanaka, Kazuo; Fujiwara, Hideki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	37
Pages of publication	4946 - 4949
a	12.3589 ± 0.0003 Å
b	12.8455 ± 0.0003 Å
c	22.1587 ± 0.0004 Å
α	79.4344 ± 0.0017°
β	87.2227 ± 0.0016°
γ	87.6319 ± 0.0019°
Cell volume	3452.24 ± 0.13 Å³
Cell temperature	99 K
Ambient diffraction temperature	99 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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