Crystallography Open Database

Information card for entry 4519009

4519008 << 4519009 >> 4519010

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Coordinates	4519009.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pm-MBP
Formula	C72 H50 Cl12 N8 O5
Calculated formula	C72 H50 Cl12 N8 O5
Title of publication	Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.
Authors of publication	Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	32
Pages of publication	21113 - 21124
a	16.6568 ± 0.0009 Å
b	27.3432 ± 0.0014 Å
c	16.0488 ± 0.0008 Å
α	90°
β	110.19 ± 0.001°
γ	90°
Cell volume	6860.3 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1919
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.2921
Weighted residual factors for all reflections included in the refinement	0.3305
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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