Crystallography Open Database

Information card for entry 4038326

Preview

Coordinates	4038326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 N4 O7
Calculated formula	C34 H42 N4 O7
Title of publication	Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <i>trans</i>-Dialkyl Substituents in Ring D.
Authors of publication	Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	10
Pages of publication	6605 - 6619
a	14.5879 ± 0.0004 Å
b	10.2102 ± 0.0003 Å
c	23.8219 ± 0.0007 Å
α	90°
β	106.882 ± 0.002°
γ	90°
Cell volume	3395.25 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252622 (current)	2020-06-04	cif/ Updating files of 4038326 Original log message: Adding full bibliography for 4038326.cif.	4038326.cif
251510	2020-05-05	cif/ Adding structures of 4038326 via cif-deposit CGI script.	4038326.cif