Crystallography Open Database

Information card for entry 1508567

Preview

Coordinates	1508567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H24.5 Cl1.5 N2 O2
Calculated formula	C34.5 H24.5 Cl1.5 N2 O2
Title of publication	Fusion of photochromic reaction and synthetic reaction: photoassisted cyclization to highly strained chiral azobenzenophanes.
Authors of publication	Takaishi, Kazuto; Kawamoto, Masuki; Muranaka, Atsuya; Uchiyama, Masanobu
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	3252 - 3255
a	11.148 ± 0.0001 Å
b	18.6856 ± 0.0002 Å
c	26.1462 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5446.44 ± 0.1 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	1507819
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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