Crystallography Open Database

Information card for entry 1546237

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Structure parameters

Formula	C28 H25 N O4
Calculated formula	C28 H25 N O4
SMILES	O(C1=CC[C@]2(N(Cc3ccccc3)C(=O)c3ccccc23)[C@H]1c1ccc(cc1)OC)C(=O)C.O(C1=CC[C@@]2(N(Cc3ccccc3)C(=O)c3ccccc23)[C@@H]1c1ccc(cc1)OC)C(=O)C
Title of publication	Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.
Authors of publication	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	11
Pages of publication	2965 - 2968
a	14.8441 ± 0.0002 Å
b	10.42006 ± 0.00018 Å
c	14.7439 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2280.53 ± 0.07 Å³
Cell temperature	294.4 ± 0.1 K
Ambient diffraction temperature	294.4 ± 0.1 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546237.cif
197382	2017-06-05	cif/ Adding structures of 1546237 via cif-deposit CGI script.	1546237.cif