Crystallography Open Database

Information card for entry 1507819

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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
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1507819.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507819.cif
113481	2014-05-13	cif/ Updating files of 1507819 Original log message: Adding full bibliography for 1507819.cif.	1507819.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507819.cif
62307	2012-07-07	cif/ Adding structures of 1507819 via cif-deposit CGI script.	1507819.cif