Crystallography Open Database

Information card for entry 1571449

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Coordinates	1571449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Br2 N2 O3
Calculated formula	C18 H16 Br2 N2 O3
Title of publication	Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
Authors of publication	Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	20
Pages of publication	7603 - 7609
a	8.3326 ± 0.0002 Å
b	12.8054 ± 0.0003 Å
c	32.7329 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3492.67 ± 0.14 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.81032 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292908 (current)	2024-07-05	cif/ Updating files of 1571449, 1571450, 1571451, 1571452 Original log message: Adding full bibliography for 1571449--1571452.cif.	1571449.cif
291237	2024-04-17	cif/ Adding structures of 1571449, 1571450, 1571451, 1571452 via cif-deposit CGI script.	1571449.cif