Crystallography Open Database

Information card for entry 7121764

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Structure parameters

Formula	C21 H23 N O5
Calculated formula	C21 H23 N O5
Title of publication	Enantioselective total synthesis of sagittacin E and related natural products.
Authors of publication	Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	48
Pages of publication	6165 - 6168
a	7.1336 ± 0.0005 Å
b	12.7135 ± 0.0008 Å
c	20.4017 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1850.3 ± 0.2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
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	0.0378
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7121764.cif
228353	2019-11-17	cif/ Updating files of 7121764, 7121765, 7121766 Original log message: Adding full bibliography for 7121764--7121766.cif.	7121764.cif
208004	2018-05-29	cif/ Adding structures of 7121764, 7121765, 7121766 via cif-deposit CGI script.	7121764.cif