Crystallography Open Database

Information card for entry 7132954

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Coordinates	7132954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 N2 O2
Calculated formula	C40 H36 N2 O2
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	12.0197 ± 0.0007 Å
b	12.0255 ± 0.0007 Å
c	13.0084 ± 0.0008 Å
α	87.125 ± 0.005°
β	64.484 ± 0.006°
γ	67.794 ± 0.006°
Cell volume	1556.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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