Crystallography Open Database

Information card for entry 3000497

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Structure parameters

Formula	C24 H26 Cl3 N7 O5
Calculated formula	C24 H26 Cl3 N7 O5
Authors of publication	Kawamoto, Akihiro; Kojima Chojiro; Kurisu, Genji; Nakane, Takanori; Nakatani Kazuhiko; Sakurabayashi Shuhei
Journal of publication	Journal of the American Chemical Society
Year of publication	2025
a	7.078 Å
b	11.743 Å
c	34.698 Å
α	90°
β	91.41°
γ	90°
Cell volume	2883.12 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2307
Residual factor for significantly intense reflections	0.2149
Weighted residual factors for significantly intense reflections	0.5817
Weighted residual factors for all reflections included in the refinement	0.5835
Goodness-of-fit parameter for all reflections included in the refinement	2.722
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299430 (current)	2025-04-28	Adding link to the raw data in XRDa. cif/3/00/04/ (saulius@pterodaktilis)	3000497.cif
299429	2025-04-28	Updating the publication information. cif/3/00/04/ (saulius@pterodaktilis)	3000497.cif
299428	2025-04-28	Updating the journal as requested by the depositors. cif/3/00/04/ (saulius@pterodaktilis)	3000497.cif
299427	2025-04-28	Adding full data for immediate release as per request of the depositor. cif/ (saulius@pterodaktilis)	3000497.cif
291332	2024-04-23	cif/ Adding structures of 3000497 via cif-deposit CGI script.	3000497.cif